REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3k83_1_A DATA FIRST_RESID 33 DATA SEQUENCE GRQKARGAAT RARQKQRASL ETMDKAVQRF RLQNPDLDSE ALLTLPLLQL DATA SEQUENCE VQKLQSGELS PEAVFFTYLG KAWEVNKGTN CVTSYLTDCE TQLSQAPRQG DATA SEQUENCE LLYGVPVSLK ECFSYKGHDS TLGLSLNEGM PSESDCVVVQ VLKLQGAVPF DATA SEQUENCE VHTNVPQSMF SYDCSNPLFG QTMNPWKSSK SPGGSSGGEG ALIGSGGSPL DATA SEQUENCE GLGTDIGGSI RFPSAFCGIC GLKPTGNRLS KSGLKGCVYG QTAVQLSLGP DATA SEQUENCE MARDVESLAL CLKALLCEHL FTLDPTVPPL PFREEVYRSS RPLRVGYYET DATA SEQUENCE DNYTMPSPAM RRALIETKQR LEAAGHTLIP FLPNNIPYAL EVLSTGGLFS DATA SEQUENCE DGGRSFLQNF KGDFVDPCLG DLILILRLPS WFKRLLSLLL KPLFPRLAAF DATA SEQUENCE LNNMRPRSAE KLWKLQHEIE MYRQSVIAQW KAMNLDVLLT PMLGPALDLN DATA SEQUENCE TPGRATGAVS YTMLYNCLDF PAGVVPVTTV TAEDDAQMEL YKGYFGDIWD DATA SEQUENCE IILKKAMKNS VGLPVAVQCV ALPWQEELCL RFMREVEQLM TPQKQP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 33 G HA2 0.000 nan 3.960 nan 0.000 0.244 33 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 33 G C 0.000 174.820 174.900 -0.133 0.000 0.946 33 G CA 0.000 45.055 45.100 -0.075 0.000 0.502 34 R N 0.220 120.633 120.500 -0.145 0.000 2.616 34 R HA 0.233 4.573 4.340 0.000 0.000 0.427 34 R C 1.405 177.629 176.300 -0.126 0.000 1.030 34 R CA -0.347 55.595 56.100 -0.263 0.000 1.133 34 R CB 0.262 30.261 30.300 -0.502 0.000 1.444 34 R HN 0.393 nan 8.270 nan 0.000 0.578 35 Q N 0.801 120.563 119.800 -0.063 0.000 2.046 35 Q HA -0.119 4.221 4.340 0.000 0.000 0.200 35 Q C 1.840 177.829 176.000 -0.018 0.000 0.975 35 Q CA 1.453 57.245 55.803 -0.018 0.000 0.836 35 Q CB 0.116 28.846 28.738 -0.014 0.000 0.896 35 Q HN 0.182 nan 8.270 nan 0.000 0.428 36 K N 0.558 120.933 120.400 -0.041 0.000 2.032 36 K HA -0.180 4.140 4.320 0.000 0.000 0.209 36 K C 2.005 178.587 176.600 -0.030 0.000 1.048 36 K CA 1.332 57.598 56.287 -0.035 0.000 0.927 36 K CB -0.141 32.331 32.500 -0.047 0.000 0.712 36 K HN 0.160 nan 8.250 nan 0.000 0.441 37 A N 1.111 123.894 122.820 -0.062 0.000 1.930 37 A HA -0.106 4.215 4.320 0.000 0.000 0.217 37 A C 2.062 179.717 177.584 0.117 0.000 1.175 37 A CA 1.166 53.188 52.037 -0.025 0.000 0.627 37 A CB -0.381 18.510 19.000 -0.182 0.000 0.815 37 A HN 0.309 nan 8.150 nan 0.000 0.443 38 R N -0.919 119.670 120.500 0.149 0.000 2.092 38 R HA -0.095 4.245 4.340 0.000 0.000 0.231 38 R C 2.343 178.684 176.300 0.068 0.000 1.119 38 R CA 1.079 57.284 56.100 0.174 0.000 0.970 38 R CB -0.473 29.927 30.300 0.167 0.000 0.864 38 R HN 0.539 nan 8.270 nan 0.000 0.440 39 G N 0.298 109.120 108.800 0.037 0.000 2.403 39 G HA2 -0.214 3.746 3.960 0.000 0.000 0.216 39 G HA3 -0.214 3.746 3.960 0.000 0.000 0.216 39 G C 1.497 176.397 174.900 0.001 0.000 1.154 39 G CA 0.673 45.782 45.100 0.014 0.000 0.784 39 G HN 0.389 nan 8.290 nan 0.000 0.538 40 A N 1.259 124.077 122.820 -0.004 0.000 1.902 40 A HA 0.279 4.599 4.320 0.000 0.000 0.217 40 A C 2.807 180.354 177.584 -0.062 0.000 1.181 40 A CA 2.192 54.213 52.037 -0.027 0.000 0.623 40 A CB -0.779 18.202 19.000 -0.031 0.000 0.818 40 A HN 0.730 nan 8.150 nan 0.000 0.443 41 A N -1.040 121.751 122.820 -0.048 0.000 1.902 41 A HA -0.094 4.227 4.320 0.000 0.000 0.217 41 A C 2.307 179.838 177.584 -0.089 0.000 1.181 41 A CA 2.317 54.294 52.037 -0.101 0.000 0.623 41 A CB -1.294 17.676 19.000 -0.051 0.000 0.818 41 A HN 0.422 nan 8.150 nan 0.000 0.443 42 T N -0.304 114.228 114.554 -0.037 0.000 2.708 42 T HA -0.145 4.205 4.350 0.000 0.000 0.266 42 T C 2.059 176.750 174.700 -0.014 0.000 1.037 42 T CA 1.681 63.769 62.100 -0.020 0.000 1.146 42 T CB -0.227 68.640 68.868 -0.001 0.000 0.865 42 T HN 0.531 nan 8.240 nan 0.000 0.435 43 R N 0.738 121.229 120.500 -0.014 0.000 2.115 43 R HA 0.166 4.506 4.340 0.000 0.000 0.226 43 R C 2.775 179.082 176.300 0.011 0.000 1.100 43 R CA 1.004 57.106 56.100 0.005 0.000 0.980 43 R CB -0.323 29.982 30.300 0.008 0.000 0.875 43 R HN 0.329 nan 8.270 nan 0.000 0.445 44 A N 1.318 124.108 122.820 -0.050 0.000 1.898 44 A HA -0.138 4.182 4.320 0.000 0.000 0.216 44 A C 2.052 179.657 177.584 0.035 0.000 1.181 44 A CA 1.050 53.044 52.037 -0.072 0.000 0.620 44 A CB -0.251 18.458 19.000 -0.486 0.000 0.819 44 A HN 0.181 nan 8.150 nan 0.000 0.442 45 R N -1.133 119.349 120.500 -0.030 0.000 2.115 45 R HA -0.124 4.216 4.340 0.000 0.000 0.230 45 R C 2.405 178.763 176.300 0.097 0.000 1.111 45 R CA 1.407 57.540 56.100 0.056 0.000 0.976 45 R CB -0.183 30.120 30.300 0.005 0.000 0.870 45 R HN 0.571 nan 8.270 nan 0.000 0.445 46 Q N 1.304 121.147 119.800 0.072 0.000 2.119 46 Q HA -0.091 4.249 4.340 0.000 0.000 0.201 46 Q C 1.508 177.572 176.000 0.107 0.000 0.972 46 Q CA 1.680 57.529 55.803 0.077 0.000 0.847 46 Q CB 0.120 28.890 28.738 0.054 0.000 0.903 46 Q HN 0.129 nan 8.270 nan 0.000 0.433 47 K N -0.274 120.205 120.400 0.131 0.000 2.025 47 K HA -0.171 4.149 4.320 0.000 0.000 0.207 47 K C 2.126 178.842 176.600 0.192 0.000 1.049 47 K CA 1.337 57.718 56.287 0.156 0.000 0.933 47 K CB -0.104 32.501 32.500 0.174 0.000 0.714 47 K HN 0.366 nan 8.250 nan 0.000 0.438 48 Q N 1.152 121.104 119.800 0.255 0.000 2.030 48 Q HA -0.250 4.090 4.340 0.000 0.000 0.204 48 Q C 2.222 178.318 176.000 0.160 0.000 0.986 48 Q CA 1.672 57.608 55.803 0.221 0.000 0.843 48 Q CB -0.082 28.845 28.738 0.316 0.000 0.904 48 Q HN 0.169 nan 8.270 nan 0.000 0.420 49 R N -0.431 120.157 120.500 0.145 0.000 2.103 49 R HA -0.197 4.143 4.340 0.000 0.000 0.242 49 R C 2.092 178.474 176.300 0.135 0.000 1.142 49 R CA 1.539 57.713 56.100 0.122 0.000 0.960 49 R CB -0.349 30.011 30.300 0.099 0.000 0.858 49 R HN 0.379 nan 8.270 nan 0.000 0.439 50 A N -0.394 122.506 122.820 0.134 0.000 1.929 50 A HA -0.059 4.262 4.320 0.000 0.000 0.216 50 A C 2.189 179.873 177.584 0.167 0.000 1.176 50 A CA 1.443 53.560 52.037 0.134 0.000 0.628 50 A CB -0.441 18.628 19.000 0.114 0.000 0.816 50 A HN 0.389 nan 8.150 nan 0.000 0.444 51 S N 0.024 115.838 115.700 0.191 0.000 2.359 51 S HA -0.178 4.292 4.470 0.000 0.000 0.223 51 S C 1.855 176.585 174.600 0.216 0.000 1.039 51 S CA 1.757 60.107 58.200 0.251 0.000 1.042 51 S CB -0.518 62.830 63.200 0.246 0.000 0.915 51 S HN 0.527 nan 8.310 nan 0.000 0.439 52 L N 0.857 122.200 121.223 0.199 0.000 2.046 52 L HA -0.144 4.196 4.340 0.000 0.000 0.208 52 L C 2.651 179.714 176.870 0.321 0.000 1.077 52 L CA 1.483 56.491 54.840 0.280 0.000 0.747 52 L CB -0.557 41.635 42.059 0.223 0.000 0.896 52 L HN 0.282 nan 8.230 nan 0.000 0.432 53 E N 0.198 120.532 120.200 0.223 0.000 2.051 53 E HA -0.179 4.171 4.350 0.000 0.000 0.192 53 E C 2.031 178.676 176.600 0.074 0.000 0.991 53 E CA 2.003 58.493 56.400 0.151 0.000 0.799 53 E CB -0.183 29.593 29.700 0.125 0.000 0.748 53 E HN 0.288 nan 8.360 nan 0.000 0.449 54 T N 0.545 115.169 114.554 0.115 0.000 2.720 54 T HA -0.181 4.169 4.350 0.000 0.000 0.268 54 T C 1.879 176.593 174.700 0.023 0.000 1.037 54 T CA 1.818 63.995 62.100 0.130 0.000 1.144 54 T CB -0.257 68.777 68.868 0.278 0.000 0.864 54 T HN 0.194 nan 8.240 nan 0.000 0.444 55 M N 0.961 120.484 119.600 -0.128 0.000 2.086 55 M HA -0.112 4.368 4.480 0.000 0.000 0.261 55 M C 2.300 178.410 176.300 -0.316 0.000 1.067 55 M CA 1.616 56.699 55.300 -0.361 0.000 1.116 55 M CB -0.424 31.974 32.600 -0.336 0.000 1.348 55 M HN 0.100 nan 8.290 nan 0.000 0.407 56 D N 0.613 120.737 120.400 -0.461 0.000 2.104 56 D HA -0.155 4.485 4.640 0.000 0.000 0.194 56 D C 1.804 177.878 176.300 -0.378 0.000 0.994 56 D CA 1.528 55.079 54.000 -0.749 0.000 0.830 56 D CB 0.021 40.308 40.800 -0.856 0.000 0.959 56 D HN 0.213 nan 8.370 nan 0.000 0.452 57 K N -0.032 120.248 120.400 -0.199 0.000 2.044 57 K HA -0.133 4.187 4.320 0.000 0.000 0.210 57 K C 2.194 178.749 176.600 -0.073 0.000 1.049 57 K CA 1.314 57.539 56.287 -0.104 0.000 0.927 57 K CB -0.231 32.251 32.500 -0.030 0.000 0.713 57 K HN 0.147 nan 8.250 nan 0.000 0.443 58 A N 0.987 123.797 122.820 -0.017 0.000 1.902 58 A HA -0.115 4.205 4.320 0.000 0.000 0.217 58 A C 2.398 179.957 177.584 -0.042 0.000 1.181 58 A CA 1.396 53.468 52.037 0.060 0.000 0.623 58 A CB -0.632 18.563 19.000 0.325 0.000 0.818 58 A HN 0.075 nan 8.150 nan 0.000 0.443 59 V N 0.084 119.975 119.914 -0.037 0.000 2.295 59 V HA -0.261 3.859 4.120 0.000 0.000 0.246 59 V C 2.752 178.801 176.094 -0.074 0.000 1.049 59 V CA 2.063 64.339 62.300 -0.040 0.000 1.024 59 V CB -0.766 30.974 31.823 -0.139 0.000 0.648 59 V HN 0.529 nan 8.190 nan 0.000 0.447 60 Q N -0.138 119.575 119.800 -0.145 0.000 2.124 60 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 60 Q C 2.319 178.254 176.000 -0.108 0.000 0.977 60 Q CA 1.749 57.474 55.803 -0.130 0.000 0.850 60 Q CB -0.576 28.073 28.738 -0.150 0.000 0.901 60 Q HN 0.657 nan 8.270 nan 0.000 0.429 61 R N -0.251 120.182 120.500 -0.113 0.000 2.073 61 R HA -0.142 4.198 4.340 0.000 0.000 0.234 61 R C 2.168 178.371 176.300 -0.162 0.000 1.134 61 R CA 1.247 57.272 56.100 -0.124 0.000 0.952 61 R CB -0.462 29.772 30.300 -0.110 0.000 0.850 61 R HN 0.224 nan 8.270 nan 0.000 0.433 62 F N 1.521 121.261 119.950 -0.351 0.000 2.171 62 F HA -0.110 4.416 4.527 -0.001 0.000 0.300 62 F C 2.141 177.822 175.800 -0.199 0.000 1.090 62 F CA 1.564 59.334 58.000 -0.383 0.000 1.293 62 F CB -0.011 38.605 39.000 -0.639 0.000 1.013 62 F HN -0.040 nan 8.300 nan 0.000 0.486 63 R N 0.069 120.507 120.500 -0.104 0.000 2.115 63 R HA -0.102 4.239 4.340 0.000 0.000 0.230 63 R C 2.336 178.510 176.300 -0.209 0.000 1.111 63 R CA 1.214 57.233 56.100 -0.136 0.000 0.976 63 R CB -0.540 29.744 30.300 -0.027 0.000 0.870 63 R HN 0.378 nan 8.270 nan 0.000 0.445 64 L N 0.808 121.918 121.223 -0.189 0.000 2.012 64 L HA -0.225 4.115 4.340 0.000 0.000 0.210 64 L C 2.171 178.916 176.870 -0.210 0.000 1.073 64 L CA 1.479 56.219 54.840 -0.167 0.000 0.748 64 L CB -0.358 41.620 42.059 -0.135 0.000 0.891 64 L HN 0.269 nan 8.230 nan 0.000 0.431 65 Q N -0.484 119.138 119.800 -0.297 0.000 2.369 65 Q HA 0.005 4.345 4.340 0.000 0.000 0.206 65 Q C 0.331 176.119 176.000 -0.355 0.000 0.963 65 Q CA 0.721 56.343 55.803 -0.303 0.000 0.894 65 Q CB -0.024 28.522 28.738 -0.320 0.000 0.965 65 Q HN 0.564 nan 8.270 nan 0.000 0.475 66 N N 0.579 119.003 118.700 -0.461 0.000 2.703 66 N HA 0.132 4.872 4.740 0.000 0.000 0.283 66 N C -2.173 173.195 175.510 -0.238 0.000 1.851 66 N CA -0.754 52.049 53.050 -0.412 0.000 0.826 66 N CB 1.452 39.487 38.487 -0.752 0.000 1.239 66 N HN 0.041 nan 8.380 nan 0.000 0.495 67 P HA -0.012 nan 4.420 nan 0.000 0.226 67 P C 0.320 177.582 177.300 -0.064 0.000 1.153 67 P CA 1.027 64.069 63.100 -0.098 0.000 0.777 67 P CB 0.531 32.180 31.700 -0.085 0.000 0.794 68 D N -0.608 119.755 120.400 -0.062 0.000 2.350 68 D HA 0.041 4.681 4.640 0.000 0.000 0.213 68 D C 0.875 177.166 176.300 -0.014 0.000 1.031 68 D CA -0.133 53.846 54.000 -0.034 0.000 0.861 68 D CB -0.153 40.628 40.800 -0.032 0.000 0.926 68 D HN 0.136 nan 8.370 nan 0.000 0.520 69 L N 2.108 123.328 121.223 -0.005 0.000 2.540 69 L HA 0.007 4.348 4.340 0.000 0.000 0.276 69 L C 0.080 176.966 176.870 0.026 0.000 1.212 69 L CA 0.138 55.000 54.840 0.036 0.000 0.893 69 L CB 0.464 42.587 42.059 0.106 0.000 1.138 69 L HN -0.241 nan 8.230 nan 0.000 0.491 70 D N 2.374 122.786 120.400 0.020 0.000 2.453 70 D HA 0.076 4.716 4.640 0.000 0.000 0.223 70 D C 1.093 177.392 176.300 -0.001 0.000 1.183 70 D CA 0.587 54.590 54.000 0.006 0.000 0.933 70 D CB 0.823 41.625 40.800 0.002 0.000 1.038 70 D HN 0.705 nan 8.370 nan 0.000 0.513 71 S N 2.800 118.495 115.700 -0.008 0.000 2.436 71 S HA -0.119 4.352 4.470 0.000 0.000 0.228 71 S C 1.551 176.107 174.600 -0.073 0.000 1.014 71 S CA 0.456 58.635 58.200 -0.036 0.000 0.950 71 S CB 0.085 63.268 63.200 -0.029 0.000 0.784 71 S HN 0.279 nan 8.310 nan 0.000 0.504 72 E N 2.071 122.240 120.200 -0.052 0.000 2.072 72 E HA 0.188 4.538 4.350 0.000 0.000 0.191 72 E C 2.290 178.860 176.600 -0.050 0.000 0.985 72 E CA 1.273 57.638 56.400 -0.057 0.000 0.801 72 E CB -0.774 28.902 29.700 -0.039 0.000 0.750 72 E HN 0.643 nan 8.360 nan 0.000 0.452 73 A N 0.544 123.345 122.820 -0.032 0.000 1.902 73 A HA -0.149 4.171 4.320 0.000 0.000 0.217 73 A C 2.251 179.820 177.584 -0.024 0.000 1.181 73 A CA 1.359 53.384 52.037 -0.019 0.000 0.623 73 A CB -0.736 18.260 19.000 -0.007 0.000 0.818 73 A HN 0.345 nan 8.150 nan 0.000 0.443 74 L N -0.687 120.514 121.223 -0.037 0.000 2.056 74 L HA -0.087 4.253 4.340 0.000 0.000 0.207 74 L C 2.272 179.090 176.870 -0.087 0.000 1.078 74 L CA 1.279 56.093 54.840 -0.042 0.000 0.749 74 L CB -0.180 41.852 42.059 -0.045 0.000 0.901 74 L HN 0.400 nan 8.230 nan 0.000 0.433 75 L N -0.624 120.494 121.223 -0.174 0.000 2.217 75 L HA -0.121 4.219 4.340 0.000 0.000 0.211 75 L C 2.330 179.144 176.870 -0.093 0.000 1.107 75 L CA 1.478 56.151 54.840 -0.278 0.000 0.783 75 L CB -0.621 41.240 42.059 -0.329 0.000 0.919 75 L HN 0.461 nan 8.230 nan 0.000 0.442 76 T N -3.179 111.348 114.554 -0.045 0.000 3.086 76 T HA 0.188 4.538 4.350 0.000 0.000 0.250 76 T C 0.692 175.406 174.700 0.023 0.000 1.074 76 T CA -0.291 61.806 62.100 -0.004 0.000 0.988 76 T CB -0.273 68.588 68.868 -0.012 0.000 0.988 76 T HN 0.021 nan 8.240 nan 0.000 0.530 77 L N 2.750 123.991 121.223 0.031 0.000 2.462 77 L HA 0.293 4.633 4.340 0.000 0.000 0.272 77 L C -2.116 174.791 176.870 0.062 0.000 1.166 77 L CA -1.989 52.878 54.840 0.044 0.000 0.880 77 L CB 0.014 42.102 42.059 0.048 0.000 1.142 77 L HN 0.051 nan 8.230 nan 0.000 0.473 78 P HA -0.056 nan 4.420 nan 0.000 0.267 78 P C 0.561 177.887 177.300 0.044 0.000 1.200 78 P CA -0.412 62.717 63.100 0.049 0.000 0.772 78 P CB 0.657 32.381 31.700 0.041 0.000 0.855 79 L N 3.488 124.729 121.223 0.031 0.000 2.021 79 L HA -0.206 4.134 4.340 0.000 0.000 0.215 79 L C 1.846 178.721 176.870 0.008 0.000 1.074 79 L CA 2.024 56.868 54.840 0.007 0.000 0.760 79 L CB -1.101 40.945 42.059 -0.022 0.000 0.889 79 L HN 0.325 nan 8.230 nan 0.000 0.433 80 L N -1.059 120.173 121.223 0.014 0.000 2.079 80 L HA -0.229 4.111 4.340 0.000 0.000 0.210 80 L C 2.643 179.529 176.870 0.026 0.000 1.081 80 L CA 1.635 56.486 54.840 0.018 0.000 0.752 80 L CB -1.192 40.885 42.059 0.029 0.000 0.896 80 L HN 0.425 nan 8.230 nan 0.000 0.433 81 Q N -0.643 119.175 119.800 0.031 0.000 2.046 81 Q HA -0.165 4.175 4.340 0.000 0.000 0.200 81 Q C 2.077 178.097 176.000 0.035 0.000 0.975 81 Q CA 1.024 56.847 55.803 0.033 0.000 0.836 81 Q CB -0.552 28.207 28.738 0.034 0.000 0.896 81 Q HN 0.252 nan 8.270 nan 0.000 0.428 82 L N -0.428 120.817 121.223 0.037 0.000 2.021 82 L HA -0.215 4.126 4.340 0.000 0.000 0.215 82 L C 2.021 178.908 176.870 0.028 0.000 1.074 82 L CA 1.632 56.495 54.840 0.039 0.000 0.760 82 L CB -0.721 41.364 42.059 0.045 0.000 0.889 82 L HN 0.105 nan 8.230 nan 0.000 0.433 83 V N -0.692 119.235 119.914 0.020 0.000 2.343 83 V HA -0.283 3.837 4.120 0.000 0.000 0.247 83 V C 2.570 178.693 176.094 0.048 0.000 1.051 83 V CA 1.905 64.220 62.300 0.025 0.000 1.036 83 V CB -0.673 31.158 31.823 0.013 0.000 0.654 83 V HN 0.607 nan 8.190 nan 0.000 0.451 84 Q N 0.510 120.335 119.800 0.041 0.000 2.084 84 Q HA -0.221 4.119 4.340 0.000 0.000 0.202 84 Q C 2.221 178.252 176.000 0.051 0.000 0.978 84 Q CA 1.759 57.588 55.803 0.044 0.000 0.844 84 Q CB -0.109 28.651 28.738 0.036 0.000 0.898 84 Q HN 0.601 nan 8.270 nan 0.000 0.426 85 K N -0.127 120.303 120.400 0.050 0.000 2.296 85 K HA 0.008 4.328 4.320 0.000 0.000 0.200 85 K C 2.242 178.885 176.600 0.072 0.000 1.048 85 K CA 0.350 56.669 56.287 0.053 0.000 0.966 85 K CB 0.133 32.661 32.500 0.046 0.000 0.754 85 K HN 0.188 nan 8.250 nan 0.000 0.466 86 L N 0.598 121.870 121.223 0.082 0.000 2.072 86 L HA -0.172 4.168 4.340 0.000 0.000 0.205 86 L C 2.634 179.640 176.870 0.228 0.000 1.079 86 L CA 0.978 55.895 54.840 0.128 0.000 0.752 86 L CB -0.161 41.937 42.059 0.064 0.000 0.906 86 L HN 0.125 nan 8.230 nan 0.000 0.436 87 Q N 0.097 119.999 119.800 0.169 0.000 2.079 87 Q HA -0.184 4.156 4.340 0.000 0.000 0.200 87 Q C 2.328 178.364 176.000 0.060 0.000 0.974 87 Q CA 2.132 58.003 55.803 0.115 0.000 0.840 87 Q CB -0.176 28.604 28.738 0.071 0.000 0.898 87 Q HN 0.480 nan 8.270 nan 0.000 0.430 88 S N -1.826 113.910 115.700 0.059 0.000 2.489 88 S HA 0.150 4.620 4.470 0.000 0.000 0.228 88 S C 1.464 176.092 174.600 0.046 0.000 0.995 88 S CA 0.788 59.012 58.200 0.041 0.000 0.934 88 S CB -0.081 63.141 63.200 0.037 0.000 0.771 88 S HN 0.731 nan 8.310 nan 0.000 0.522 89 G N 1.036 109.880 108.800 0.073 0.000 2.157 89 G HA2 -0.306 3.655 3.960 0.000 0.000 0.239 89 G HA3 -0.306 3.655 3.960 0.000 0.000 0.239 89 G C 0.526 175.465 174.900 0.065 0.000 0.982 89 G CA 0.511 45.657 45.100 0.077 0.000 0.650 89 G HN 0.587 nan 8.290 nan 0.000 0.527 90 E N -0.604 119.631 120.200 0.058 0.000 2.150 90 E HA 0.116 4.466 4.350 0.000 0.000 0.193 90 E C 0.970 177.603 176.600 0.056 0.000 0.985 90 E CA 0.418 56.848 56.400 0.050 0.000 0.814 90 E CB -0.015 29.710 29.700 0.042 0.000 0.752 90 E HN 0.572 nan 8.360 nan 0.000 0.466 91 L N 1.296 122.557 121.223 0.063 0.000 2.334 91 L HA 0.255 4.595 4.340 0.000 0.000 0.276 91 L C 0.038 176.952 176.870 0.074 0.000 1.014 91 L CA -0.897 53.981 54.840 0.064 0.000 0.815 91 L CB 1.858 43.949 42.059 0.052 0.000 1.268 91 L HN 0.031 nan 8.230 nan 0.000 0.428 92 S N 1.535 117.284 115.700 0.082 0.000 2.610 92 S HA 0.370 4.840 4.470 0.000 0.000 0.273 92 S C -2.055 172.565 174.600 0.035 0.000 1.274 92 S CA -1.169 57.082 58.200 0.085 0.000 1.023 92 S CB 1.434 64.704 63.200 0.117 0.000 0.962 92 S HN 0.392 nan 8.310 nan 0.000 0.523 93 P HA -0.034 nan 4.420 nan 0.000 0.218 93 P C 0.915 178.173 177.300 -0.070 0.000 1.149 93 P CA 1.051 64.072 63.100 -0.132 0.000 0.817 93 P CB 0.033 31.576 31.700 -0.262 0.000 0.785 94 E N -0.010 120.201 120.200 0.019 0.000 2.077 94 E HA -0.129 4.221 4.350 0.000 0.000 0.193 94 E C 2.186 178.783 176.600 -0.004 0.000 0.989 94 E CA 1.530 57.989 56.400 0.099 0.000 0.800 94 E CB -1.293 28.596 29.700 0.314 0.000 0.746 94 E HN 0.126 nan 8.360 nan 0.000 0.452 95 A N 0.546 123.409 122.820 0.070 0.000 1.865 95 A HA -0.200 4.120 4.320 0.000 0.000 0.217 95 A C 2.508 180.043 177.584 -0.081 0.000 1.191 95 A CA 1.781 53.849 52.037 0.052 0.000 0.623 95 A CB -0.907 18.206 19.000 0.188 0.000 0.826 95 A HN 0.161 nan 8.150 nan 0.000 0.444 96 V N -1.377 118.516 119.914 -0.036 0.000 2.427 96 V HA -0.213 3.907 4.120 0.000 0.000 0.248 96 V C 2.266 178.310 176.094 -0.085 0.000 1.051 96 V CA 2.032 64.320 62.300 -0.021 0.000 1.048 96 V CB -0.904 30.921 31.823 0.002 0.000 0.666 96 V HN 0.637 nan 8.190 nan 0.000 0.456 97 F N 0.367 120.114 119.950 -0.339 0.000 2.084 97 F HA -0.166 4.362 4.527 0.001 0.000 0.296 97 F C 2.025 177.458 175.800 -0.612 0.000 1.111 97 F CA 1.820 59.496 58.000 -0.539 0.000 1.224 97 F CB -0.296 38.292 39.000 -0.687 0.000 0.991 97 F HN 0.136 nan 8.300 nan 0.000 0.471 98 F N 0.341 120.012 119.950 -0.465 0.000 2.325 98 F HA -0.096 4.431 4.527 -0.001 0.000 0.299 98 F C 2.483 177.995 175.800 -0.481 0.000 1.090 98 F CA 1.506 59.142 58.000 -0.606 0.000 1.392 98 F CB -1.349 37.107 39.000 -0.907 0.000 1.053 98 F HN -0.108 nan 8.300 nan 0.000 0.521 99 T N -1.145 113.247 114.554 -0.270 0.000 2.737 99 T HA -0.215 4.135 4.350 0.000 0.000 0.265 99 T C 1.700 176.224 174.700 -0.293 0.000 1.038 99 T CA 1.458 63.434 62.100 -0.207 0.000 1.144 99 T CB -0.585 68.176 68.868 -0.179 0.000 0.866 99 T HN 0.157 nan 8.240 nan 0.000 0.434 100 Y N 0.771 120.865 120.300 -0.344 0.000 2.224 100 Y HA -0.012 4.538 4.550 -0.001 0.000 0.289 100 Y C 2.167 177.834 175.900 -0.389 0.000 1.146 100 Y CA 0.443 58.320 58.100 -0.371 0.000 1.182 100 Y CB -0.503 37.657 38.460 -0.500 0.000 0.983 100 Y HN 0.083 nan 8.280 nan 0.000 0.524 101 L N -0.276 120.670 121.223 -0.463 0.000 2.012 101 L HA -0.132 4.208 4.340 0.000 0.000 0.210 101 L C 2.441 179.269 176.870 -0.070 0.000 1.073 101 L CA 2.280 56.910 54.840 -0.349 0.000 0.748 101 L CB -1.203 40.511 42.059 -0.575 0.000 0.891 101 L HN 0.209 nan 8.230 nan 0.000 0.431 102 G N -1.281 107.475 108.800 -0.073 0.000 2.408 102 G HA2 -0.310 3.650 3.960 0.000 0.000 0.217 102 G HA3 -0.310 3.650 3.960 0.000 0.000 0.217 102 G C 1.671 176.637 174.900 0.109 0.000 1.150 102 G CA 0.876 45.991 45.100 0.025 0.000 0.776 102 G HN 0.329 nan 8.290 nan 0.000 0.542 103 K N 1.282 121.690 120.400 0.014 0.000 2.026 103 K HA 0.121 4.441 4.320 0.000 0.000 0.208 103 K C 2.681 179.336 176.600 0.091 0.000 1.048 103 K CA 1.611 57.909 56.287 0.017 0.000 0.929 103 K CB -0.761 31.681 32.500 -0.097 0.000 0.713 103 K HN 0.155 nan 8.250 nan 0.000 0.439 104 A N -0.251 122.654 122.820 0.142 0.000 1.908 104 A HA -0.175 4.145 4.320 0.000 0.000 0.218 104 A C 2.197 179.859 177.584 0.131 0.000 1.181 104 A CA 1.687 53.825 52.037 0.169 0.000 0.627 104 A CB -1.271 17.910 19.000 0.302 0.000 0.818 104 A HN 0.674 nan 8.150 nan 0.000 0.445 105 W N 0.883 122.171 121.300 -0.021 0.000 2.335 105 W HA -0.198 4.463 4.660 0.001 0.000 0.311 105 W C 2.054 178.555 176.519 -0.029 0.000 1.213 105 W CA 2.136 59.457 57.345 -0.039 0.000 1.274 105 W CB -0.128 29.296 29.460 -0.060 0.000 1.148 105 W HN 0.500 nan 8.180 nan 0.000 0.498 106 E N -0.271 120.030 120.200 0.169 0.000 2.031 106 E HA -0.257 4.093 4.350 0.000 0.000 0.193 106 E C 2.218 178.746 176.600 -0.120 0.000 0.994 106 E CA 2.419 58.822 56.400 0.006 0.000 0.800 106 E CB -0.775 29.001 29.700 0.126 0.000 0.752 106 E HN 0.303 nan 8.360 nan 0.000 0.447 107 V N 0.265 120.143 119.914 -0.060 0.000 2.594 107 V HA -0.223 3.897 4.120 0.000 0.000 0.253 107 V C 1.912 177.941 176.094 -0.108 0.000 1.069 107 V CA 2.087 64.344 62.300 -0.071 0.000 1.082 107 V CB -0.748 31.056 31.823 -0.031 0.000 0.680 107 V HN 0.150 nan 8.190 nan 0.000 0.469 108 N N 0.896 119.507 118.700 -0.148 0.000 2.205 108 N HA -0.180 4.561 4.740 0.000 0.000 0.186 108 N C 1.755 177.133 175.510 -0.220 0.000 1.015 108 N CA 1.354 54.297 53.050 -0.179 0.000 0.862 108 N CB -0.300 38.055 38.487 -0.220 0.000 0.986 108 N HN 0.407 nan 8.380 nan 0.000 0.429 109 K N -0.534 119.681 120.400 -0.310 0.000 2.089 109 K HA -0.083 4.237 4.320 0.000 0.000 0.210 109 K C 1.662 178.163 176.600 -0.165 0.000 1.048 109 K CA 1.572 57.685 56.287 -0.290 0.000 0.926 109 K CB -0.790 31.522 32.500 -0.313 0.000 0.714 109 K HN 0.383 nan 8.250 nan 0.000 0.448 110 G N -0.149 108.575 108.800 -0.127 0.000 3.126 110 G HA2 -0.038 3.922 3.960 0.000 0.000 0.224 110 G HA3 -0.038 3.922 3.960 0.000 0.000 0.224 110 G C 1.163 176.030 174.900 -0.055 0.000 1.142 110 G CA 0.688 45.740 45.100 -0.080 0.000 0.759 110 G HN 0.425 nan 8.290 nan 0.000 0.550 111 T N -3.299 111.219 114.554 -0.060 0.000 2.964 111 T HA 0.118 4.468 4.350 0.000 0.000 0.250 111 T C 0.924 175.609 174.700 -0.025 0.000 0.982 111 T CA 0.539 62.622 62.100 -0.028 0.000 0.959 111 T CB -0.058 68.800 68.868 -0.017 0.000 1.141 111 T HN 0.196 nan 8.240 nan 0.000 0.494 112 N N 0.776 119.446 118.700 -0.049 0.000 2.727 112 N HA -0.200 4.541 4.740 0.000 0.000 0.251 112 N C 0.666 176.161 175.510 -0.025 0.000 1.040 112 N CA 0.686 53.714 53.050 -0.037 0.000 0.712 112 N CB -1.865 36.616 38.487 -0.010 0.000 0.912 112 N HN 0.813 nan 8.380 nan 0.000 0.545 113 C N -3.060 116.215 119.300 -0.042 0.000 2.735 113 C HA 0.508 4.968 4.460 0.000 0.000 0.271 113 C C 0.977 175.920 174.990 -0.078 0.000 1.281 113 C CA -0.387 58.606 59.018 -0.040 0.000 1.719 113 C CB -0.768 26.956 27.740 -0.025 0.000 2.024 113 C HN 0.243 nan 8.230 nan 0.000 0.566 114 V N 3.046 122.903 119.914 -0.095 0.000 2.407 114 V HA 0.382 4.502 4.120 0.000 0.000 0.278 114 V C 1.470 177.461 176.094 -0.171 0.000 1.037 114 V CA 0.964 63.190 62.300 -0.124 0.000 0.900 114 V CB 1.356 33.123 31.823 -0.094 0.000 0.983 114 V HN 0.658 nan 8.190 nan 0.000 0.459 115 T N 0.110 114.499 114.554 -0.274 0.000 3.034 115 T HA 0.182 4.533 4.350 0.000 0.000 0.248 115 T C 0.709 175.242 174.700 -0.279 0.000 1.040 115 T CA 0.434 62.200 62.100 -0.557 0.000 1.107 115 T CB 0.471 68.618 68.868 -1.200 0.000 0.932 115 T HN 0.563 nan 8.240 nan 0.000 0.474 116 S N -0.282 115.358 115.700 -0.101 0.000 2.543 116 S HA 0.471 4.941 4.470 0.000 0.000 0.271 116 S C -1.934 172.703 174.600 0.061 0.000 1.148 116 S CA -0.983 57.251 58.200 0.056 0.000 0.914 116 S CB 1.306 64.606 63.200 0.168 0.000 1.096 116 S HN 0.452 nan 8.310 nan 0.000 0.471 117 Y N 5.464 125.763 120.300 -0.002 0.000 2.365 117 Y HA 0.519 5.069 4.550 -0.000 0.000 0.340 117 Y C -0.413 175.442 175.900 -0.075 0.000 1.016 117 Y CA -0.967 57.117 58.100 -0.028 0.000 1.196 117 Y CB 0.502 39.011 38.460 0.081 0.000 1.167 117 Y HN 0.571 nan 8.280 nan 0.000 0.509 118 L N 7.871 128.799 121.223 -0.491 0.000 2.485 118 L HA 0.036 4.376 4.340 0.000 0.000 0.279 118 L C 1.261 177.732 176.870 -0.665 0.000 1.124 118 L CA -0.114 54.205 54.840 -0.868 0.000 0.888 118 L CB 0.539 41.821 42.059 -1.296 0.000 1.217 118 L HN 0.859 nan 8.230 nan 0.000 0.464 119 T N 0.600 115.009 114.554 -0.242 0.000 2.652 119 T HA -0.185 4.166 4.350 0.000 0.000 0.267 119 T C 1.264 175.838 174.700 -0.210 0.000 1.039 119 T CA 1.862 63.814 62.100 -0.247 0.000 1.153 119 T CB -0.177 68.705 68.868 0.024 0.000 0.863 119 T HN 0.800 nan 8.240 nan 0.000 0.428 120 D N 1.482 121.852 120.400 -0.049 0.000 2.324 120 D HA -0.013 4.627 4.640 0.000 0.000 0.235 120 D C 1.962 178.228 176.300 -0.057 0.000 1.095 120 D CA 0.226 54.217 54.000 -0.015 0.000 0.871 120 D CB -1.418 39.415 40.800 0.056 0.000 0.906 120 D HN 0.645 nan 8.370 nan 0.000 0.522 121 C N -0.951 118.269 119.300 -0.133 0.000 2.437 121 C HA 0.086 4.546 4.460 0.000 0.000 0.283 121 C C 2.090 176.884 174.990 -0.327 0.000 1.424 121 C CA -0.136 58.793 59.018 -0.148 0.000 1.782 121 C CB -0.976 26.723 27.740 -0.067 0.000 1.833 121 C HN 0.220 nan 8.230 nan 0.000 0.532 122 E N 1.535 121.570 120.200 -0.275 0.000 2.152 122 E HA -0.130 4.220 4.350 0.000 0.000 0.192 122 E C 2.509 178.980 176.600 -0.215 0.000 0.983 122 E CA 1.793 57.986 56.400 -0.344 0.000 0.818 122 E CB -0.173 29.494 29.700 -0.054 0.000 0.758 122 E HN 0.905 nan 8.360 nan 0.000 0.467 123 T N -0.750 113.732 114.554 -0.119 0.000 2.896 123 T HA -0.182 4.168 4.350 0.000 0.000 0.263 123 T C 2.036 176.681 174.700 -0.092 0.000 1.050 123 T CA 1.133 63.187 62.100 -0.075 0.000 1.140 123 T CB 0.014 68.862 68.868 -0.034 0.000 0.877 123 T HN -0.063 nan 8.240 nan 0.000 0.457 124 Q N 0.847 120.583 119.800 -0.106 0.000 2.135 124 Q HA -0.039 4.301 4.340 0.000 0.000 0.204 124 Q C 2.158 178.075 176.000 -0.139 0.000 0.981 124 Q CA 1.595 57.340 55.803 -0.096 0.000 0.856 124 Q CB -1.025 27.673 28.738 -0.066 0.000 0.902 124 Q HN 0.570 nan 8.270 nan 0.000 0.425 125 L N 0.284 121.357 121.223 -0.250 0.000 2.013 125 L HA -0.195 4.145 4.340 0.000 0.000 0.212 125 L C 2.131 178.902 176.870 -0.165 0.000 1.073 125 L CA 2.658 57.312 54.840 -0.310 0.000 0.753 125 L CB -1.053 40.671 42.059 -0.558 0.000 0.890 125 L HN 0.436 nan 8.230 nan 0.000 0.432 126 S N -2.013 113.619 115.700 -0.114 0.000 2.522 126 S HA -0.083 4.387 4.470 0.000 0.000 0.227 126 S C 1.507 176.105 174.600 -0.003 0.000 0.986 126 S CA 0.664 58.841 58.200 -0.038 0.000 0.929 126 S CB -0.359 62.828 63.200 -0.021 0.000 0.769 126 S HN 0.741 nan 8.310 nan 0.000 0.529 127 Q N 0.722 120.512 119.800 -0.016 0.000 2.179 127 Q HA 0.485 4.825 4.340 0.000 0.000 0.213 127 Q C 0.098 176.112 176.000 0.024 0.000 0.833 127 Q CA -0.160 55.644 55.803 0.002 0.000 0.990 127 Q CB 0.858 29.586 28.738 -0.016 0.000 1.132 127 Q HN 0.620 nan 8.270 nan 0.000 0.493 128 A N 2.680 125.533 122.820 0.055 0.000 2.524 128 A HA 0.238 4.558 4.320 0.000 0.000 0.250 128 A C -2.228 175.469 177.584 0.189 0.000 1.078 128 A CA -0.932 51.171 52.037 0.109 0.000 0.761 128 A CB -0.202 18.846 19.000 0.081 0.000 1.012 128 A HN -0.012 nan 8.150 nan 0.000 0.500 129 P HA 0.092 nan 4.420 nan 0.000 0.261 129 P C 0.721 178.018 177.300 -0.004 0.000 1.203 129 P CA 0.055 63.178 63.100 0.039 0.000 0.767 129 P CB 0.568 32.275 31.700 0.012 0.000 0.785 130 R N 3.396 123.781 120.500 -0.191 0.000 2.193 130 R HA -0.137 4.204 4.340 0.000 0.000 0.229 130 R C 1.127 177.159 176.300 -0.447 0.000 1.110 130 R CA 1.808 57.548 56.100 -0.600 0.000 0.988 130 R CB -0.303 29.739 30.300 -0.430 0.000 0.871 130 R HN 0.384 nan 8.270 nan 0.000 0.458 131 Q N -1.049 118.640 119.800 -0.184 0.000 2.220 131 Q HA 0.330 4.670 4.340 0.000 0.000 0.205 131 Q C -0.117 175.869 176.000 -0.023 0.000 0.865 131 Q CA 0.313 56.058 55.803 -0.097 0.000 0.960 131 Q CB 1.211 29.913 28.738 -0.061 0.000 1.097 131 Q HN 0.329 nan 8.270 nan 0.000 0.493 132 G N 0.058 108.866 108.800 0.015 0.000 2.432 132 G HA2 0.053 4.013 3.960 0.000 0.000 0.239 132 G HA3 0.053 4.013 3.960 0.000 0.000 0.239 132 G C 0.540 175.477 174.900 0.061 0.000 1.291 132 G CA -0.367 44.767 45.100 0.056 0.000 0.863 132 G HN 0.351 nan 8.290 nan 0.000 0.560 133 L N 1.146 122.388 121.223 0.032 0.000 2.362 133 L HA 0.047 4.387 4.340 0.000 0.000 0.219 133 L C 1.471 178.350 176.870 0.015 0.000 1.134 133 L CA 0.762 55.612 54.840 0.016 0.000 0.807 133 L CB -0.281 41.770 42.059 -0.014 0.000 0.927 133 L HN 0.429 nan 8.230 nan 0.000 0.447 134 L N -1.386 119.851 121.223 0.022 0.000 3.202 134 L HA 0.179 4.519 4.340 0.000 0.000 0.278 134 L C 0.054 176.936 176.870 0.020 0.000 1.268 134 L CA -0.678 54.161 54.840 -0.002 0.000 1.034 134 L CB -0.091 41.943 42.059 -0.042 0.000 1.407 134 L HN 0.038 nan 8.230 nan 0.000 0.581 135 Y N 1.643 121.919 120.300 -0.040 0.000 2.865 135 Y HA 0.125 4.676 4.550 0.001 0.000 0.338 135 Y C 1.512 177.389 175.900 -0.038 0.000 1.269 135 Y CA 1.241 59.318 58.100 -0.037 0.000 1.585 135 Y CB 0.469 38.913 38.460 -0.027 0.000 1.224 135 Y HN 0.416 nan 8.280 nan 0.000 0.554 136 G N 3.647 112.020 108.800 -0.713 0.000 2.162 136 G HA2 -0.280 3.680 3.960 0.000 0.000 0.260 136 G HA3 -0.280 3.680 3.960 0.000 0.000 0.260 136 G C -0.338 174.385 174.900 -0.296 0.000 0.976 136 G CA 0.145 44.876 45.100 -0.617 0.000 0.655 136 G HN 0.741 nan 8.290 nan 0.000 0.533 137 V N 2.301 122.089 119.914 -0.210 0.000 2.427 137 V HA 0.358 4.478 4.120 0.000 0.000 0.268 137 V C -1.546 174.448 176.094 -0.167 0.000 1.046 137 V CA -1.351 60.844 62.300 -0.175 0.000 0.970 137 V CB 1.274 33.016 31.823 -0.135 0.000 1.001 137 V HN 0.116 nan 8.190 nan 0.000 0.476 138 P HA 0.189 nan 4.420 nan 0.000 0.271 138 P C -0.704 176.562 177.300 -0.057 0.000 1.226 138 P CA 0.155 63.115 63.100 -0.233 0.000 0.765 138 P CB 0.704 31.969 31.700 -0.724 0.000 0.835 139 V N 3.234 123.246 119.914 0.165 0.000 2.604 139 V HA 0.425 4.545 4.120 0.000 0.000 0.305 139 V C 0.149 176.284 176.094 0.069 0.000 1.043 139 V CA -0.537 61.811 62.300 0.081 0.000 0.888 139 V CB 2.075 33.875 31.823 -0.038 0.000 0.995 139 V HN 0.583 nan 8.190 nan 0.000 0.429 140 S N 5.312 120.965 115.700 -0.077 0.000 2.525 140 S HA 0.841 5.311 4.470 0.000 0.000 0.290 140 S C -0.838 173.638 174.600 -0.207 0.000 1.152 140 S CA -0.726 57.300 58.200 -0.289 0.000 1.072 140 S CB 1.267 64.295 63.200 -0.287 0.000 1.027 140 S HN 0.503 nan 8.310 nan 0.000 0.500 141 L N 2.128 123.242 121.223 -0.181 0.000 2.341 141 L HA 0.531 4.871 4.340 0.000 0.000 0.278 141 L C 0.232 177.171 176.870 0.115 0.000 1.005 141 L CA -0.939 53.862 54.840 -0.065 0.000 0.818 141 L CB 1.740 43.826 42.059 0.045 0.000 1.259 141 L HN 0.743 nan 8.230 nan 0.000 0.418 142 K N 2.093 122.615 120.400 0.203 0.000 2.485 142 K HA -0.067 4.253 4.320 0.000 0.000 0.277 142 K C 1.020 177.724 176.600 0.173 0.000 0.990 142 K CA 0.122 56.545 56.287 0.227 0.000 0.994 142 K CB 0.701 33.391 32.500 0.317 0.000 0.906 142 K HN 0.673 nan 8.250 nan 0.000 0.488 143 E N 2.425 122.577 120.200 -0.079 0.000 2.267 143 E HA -0.212 4.139 4.350 0.000 0.000 0.197 143 E C 1.480 177.831 176.600 -0.414 0.000 0.998 143 E CA 1.510 57.646 56.400 -0.441 0.000 0.830 143 E CB -0.092 29.434 29.700 -0.290 0.000 0.751 143 E HN 0.801 nan 8.360 nan 0.000 0.491 144 C N -0.493 118.692 119.300 -0.191 0.000 2.500 144 C HA 0.110 4.570 4.460 0.000 0.000 0.273 144 C C 1.104 175.943 174.990 -0.252 0.000 1.428 144 C CA -0.770 58.113 59.018 -0.226 0.000 1.766 144 C CB -1.705 25.879 27.740 -0.260 0.000 1.817 144 C HN 0.044 nan 8.230 nan 0.000 0.543 145 F N 3.668 123.619 119.950 0.001 0.000 2.556 145 F HA 0.239 4.766 4.527 0.001 0.000 0.344 145 F C 1.088 177.020 175.800 0.219 0.000 1.255 145 F CA 0.100 58.163 58.000 0.105 0.000 1.091 145 F CB -0.557 38.516 39.000 0.121 0.000 1.325 145 F HN 0.087 nan 8.300 nan 0.000 0.627 146 S N 2.995 118.834 115.700 0.231 0.000 2.626 146 S HA -0.098 4.372 4.470 0.000 0.000 0.303 146 S C -0.667 174.116 174.600 0.305 0.000 1.256 146 S CA 0.158 58.503 58.200 0.242 0.000 1.069 146 S CB -0.095 63.180 63.200 0.124 0.000 0.807 146 S HN 0.516 nan 8.310 nan 0.000 0.500 147 Y N 2.405 122.825 120.300 0.200 0.000 2.373 147 Y HA 0.343 4.893 4.550 -0.000 0.000 0.336 147 Y C -0.005 175.967 175.900 0.120 0.000 0.979 147 Y CA -1.068 57.081 58.100 0.083 0.000 1.080 147 Y CB 0.999 39.382 38.460 -0.128 0.000 1.190 147 Y HN 0.635 nan 8.280 nan 0.000 0.446 148 K N 3.876 124.173 120.400 -0.173 0.000 2.530 148 K HA 0.239 4.559 4.320 0.000 0.000 0.280 148 K C 1.023 177.734 176.600 0.184 0.000 1.004 148 K CA 1.705 57.977 56.287 -0.026 0.000 1.071 148 K CB -0.233 32.179 32.500 -0.147 0.000 0.876 148 K HN 1.114 nan 8.250 nan 0.000 0.487 149 G N 2.916 111.806 108.800 0.150 0.000 2.176 149 G HA2 -0.226 3.734 3.960 0.000 0.000 0.253 149 G HA3 -0.226 3.734 3.960 0.000 0.000 0.253 149 G C -0.216 174.717 174.900 0.055 0.000 0.979 149 G CA 0.070 45.233 45.100 0.105 0.000 0.641 149 G HN 0.787 nan 8.290 nan 0.000 0.530 150 H N 0.612 119.780 119.070 0.164 0.000 2.569 150 H HA 0.386 4.942 4.556 -0.000 0.000 0.357 150 H C -0.746 174.695 175.328 0.188 0.000 1.153 150 H CA -0.826 55.335 56.048 0.188 0.000 1.193 150 H CB 1.601 31.505 29.762 0.238 0.000 1.602 150 H HN 0.143 nan 8.280 nan 0.000 0.523 151 D N 0.887 121.440 120.400 0.256 0.000 2.399 151 D HA 0.063 4.703 4.640 0.000 0.000 0.241 151 D C -0.244 176.173 176.300 0.195 0.000 1.133 151 D CA 0.336 54.452 54.000 0.193 0.000 0.890 151 D CB 0.845 41.748 40.800 0.172 0.000 1.201 151 D HN 0.284 nan 8.370 nan 0.000 0.432 152 S N 0.221 115.985 115.700 0.108 0.000 2.516 152 S HA 0.130 4.600 4.470 0.000 0.000 0.268 152 S C 1.366 175.988 174.600 0.036 0.000 1.251 152 S CA -0.643 57.563 58.200 0.011 0.000 1.153 152 S CB 0.777 63.961 63.200 -0.026 0.000 1.009 152 S HN 0.528 nan 8.310 nan 0.000 0.479 153 T N 0.306 114.911 114.554 0.086 0.000 2.951 153 T HA 0.032 4.382 4.350 0.000 0.000 0.268 153 T C 1.063 175.793 174.700 0.050 0.000 1.073 153 T CA 0.307 62.464 62.100 0.094 0.000 1.134 153 T CB -0.725 68.247 68.868 0.174 0.000 0.884 153 T HN 0.601 nan 8.240 nan 0.000 0.479 154 L N 0.560 121.813 121.223 0.050 0.000 3.976 154 L HA -0.231 4.109 4.340 0.000 0.000 0.418 154 L C 1.406 178.310 176.870 0.057 0.000 1.177 154 L CA 0.338 55.200 54.840 0.036 0.000 0.968 154 L CB -2.644 39.418 42.059 0.005 0.000 1.933 154 L HN 0.699 nan 8.230 nan 0.000 0.976 155 G N -0.503 108.366 108.800 0.115 0.000 2.155 155 G HA2 -0.315 3.645 3.960 0.000 0.000 0.257 155 G HA3 -0.315 3.645 3.960 0.000 0.000 0.257 155 G C 0.077 174.968 174.900 -0.015 0.000 0.983 155 G CA 0.616 45.767 45.100 0.086 0.000 0.676 155 G HN 0.362 nan 8.290 nan 0.000 0.528 156 L N 0.591 121.782 121.223 -0.054 0.000 2.296 156 L HA 0.526 4.866 4.340 0.000 0.000 0.286 156 L C 1.809 178.623 176.870 -0.093 0.000 1.023 156 L CA 0.093 54.852 54.840 -0.134 0.000 0.812 156 L CB 1.627 43.551 42.059 -0.224 0.000 1.223 156 L HN 0.149 nan 8.230 nan 0.000 0.421 157 S N 3.516 119.162 115.700 -0.090 0.000 2.380 157 S HA -0.215 4.256 4.470 0.000 0.000 0.229 157 S C 1.692 176.255 174.600 -0.061 0.000 1.043 157 S CA 2.318 60.479 58.200 -0.065 0.000 1.038 157 S CB -0.308 62.854 63.200 -0.063 0.000 0.872 157 S HN 0.642 nan 8.310 nan 0.000 0.456 158 L N -0.272 120.903 121.223 -0.080 0.000 2.549 158 L HA 0.195 4.535 4.340 0.000 0.000 0.229 158 L C 1.081 177.932 176.870 -0.032 0.000 1.158 158 L CA 1.289 56.095 54.840 -0.056 0.000 0.842 158 L CB -0.403 41.617 42.059 -0.065 0.000 0.952 158 L HN 0.127 nan 8.230 nan 0.000 0.452 159 N N -0.015 118.668 118.700 -0.028 0.000 2.205 159 N HA 0.054 4.795 4.740 0.000 0.000 0.201 159 N C 0.094 175.615 175.510 0.019 0.000 1.128 159 N CA 0.107 53.157 53.050 0.000 0.000 0.867 159 N CB 0.177 38.667 38.487 0.006 0.000 0.996 159 N HN 0.475 nan 8.380 nan 0.000 0.503 160 E N 0.445 120.648 120.200 0.006 0.000 2.343 160 E HA 0.253 4.603 4.350 0.000 0.000 0.269 160 E C 0.519 177.131 176.600 0.020 0.000 1.047 160 E CA 0.034 56.445 56.400 0.018 0.000 0.874 160 E CB 0.675 30.369 29.700 -0.010 0.000 1.033 160 E HN 0.349 nan 8.360 nan 0.000 0.409 161 G N 4.534 113.354 108.800 0.033 0.000 2.225 161 G HA2 -0.199 3.761 3.960 0.000 0.000 0.267 161 G HA3 -0.199 3.761 3.960 0.000 0.000 0.267 161 G C 0.220 175.135 174.900 0.025 0.000 1.024 161 G CA 0.617 45.733 45.100 0.026 0.000 0.784 161 G HN 0.353 nan 8.290 nan 0.000 0.507 162 M N 0.956 120.577 119.600 0.034 0.000 2.488 162 M HA 0.251 4.731 4.480 0.000 0.000 0.204 162 M C -2.477 173.852 176.300 0.050 0.000 0.969 162 M CA -1.922 53.397 55.300 0.032 0.000 0.720 162 M CB 0.907 33.522 32.600 0.025 0.000 1.427 162 M HN 0.047 nan 8.290 nan 0.000 0.427 163 P HA 0.143 nan 4.420 nan 0.000 0.271 163 P C -0.123 177.221 177.300 0.073 0.000 1.216 163 P CA 0.123 63.267 63.100 0.072 0.000 0.776 163 P CB 0.692 32.417 31.700 0.042 0.000 0.881 164 S N 2.254 118.019 115.700 0.108 0.000 2.560 164 S HA -0.005 4.465 4.470 0.000 0.000 0.284 164 S C 1.542 176.174 174.600 0.053 0.000 1.327 164 S CA -0.399 57.851 58.200 0.083 0.000 1.055 164 S CB 0.249 63.516 63.200 0.112 0.000 0.868 164 S HN 0.449 nan 8.310 nan 0.000 0.506 165 E N 1.197 121.414 120.200 0.028 0.000 2.204 165 E HA -0.060 4.290 4.350 0.000 0.000 0.194 165 E C 0.718 177.316 176.600 -0.004 0.000 0.989 165 E CA 0.787 57.193 56.400 0.010 0.000 0.824 165 E CB 0.025 29.727 29.700 0.003 0.000 0.756 165 E HN 0.707 nan 8.360 nan 0.000 0.477 166 S N -0.007 115.689 115.700 -0.007 0.000 2.587 166 S HA 0.240 4.710 4.470 0.000 0.000 0.269 166 S C -1.167 173.401 174.600 -0.053 0.000 1.154 166 S CA -1.143 57.031 58.200 -0.043 0.000 0.824 166 S CB 1.757 64.935 63.200 -0.037 0.000 1.118 166 S HN -0.227 nan 8.310 nan 0.000 0.462 167 D N 1.542 121.870 120.400 -0.121 0.000 2.443 167 D HA 0.296 4.936 4.640 0.000 0.000 0.239 167 D C 1.044 177.335 176.300 -0.016 0.000 1.136 167 D CA -0.148 53.782 54.000 -0.116 0.000 0.879 167 D CB 0.310 40.988 40.800 -0.204 0.000 1.195 167 D HN 0.896 nan 8.370 nan 0.000 0.443 168 C N 0.228 119.560 119.300 0.053 0.000 2.705 168 C HA 0.172 4.632 4.460 0.000 0.000 0.382 168 C C 2.197 177.227 174.990 0.067 0.000 1.322 168 C CA -0.927 58.138 59.018 0.078 0.000 2.290 168 C CB -0.018 27.802 27.740 0.134 0.000 2.650 168 C HN 0.493 nan 8.230 nan 0.000 0.695 169 V N 2.415 122.370 119.914 0.068 0.000 2.282 169 V HA -0.222 3.898 4.120 0.000 0.000 0.249 169 V C 2.649 178.777 176.094 0.057 0.000 1.057 169 V CA 2.773 65.106 62.300 0.055 0.000 1.032 169 V CB -0.974 30.886 31.823 0.062 0.000 0.645 169 V HN 1.001 nan 8.190 nan 0.000 0.447 170 V N -2.023 117.953 119.914 0.103 0.000 2.407 170 V HA -0.170 3.950 4.120 0.000 0.000 0.248 170 V C 2.227 178.341 176.094 0.033 0.000 1.055 170 V CA 1.954 64.301 62.300 0.078 0.000 1.049 170 V CB -1.001 30.901 31.823 0.131 0.000 0.662 170 V HN 0.301 nan 8.190 nan 0.000 0.455 171 V N 0.659 120.616 119.914 0.071 0.000 2.295 171 V HA -0.301 3.819 4.120 0.000 0.000 0.246 171 V C 2.891 178.978 176.094 -0.012 0.000 1.049 171 V CA 2.564 64.889 62.300 0.042 0.000 1.024 171 V CB -0.941 30.945 31.823 0.105 0.000 0.648 171 V HN 0.588 nan 8.190 nan 0.000 0.447 172 Q N -0.429 119.355 119.800 -0.027 0.000 2.077 172 Q HA -0.202 4.138 4.340 0.000 0.000 0.206 172 Q C 2.329 178.279 176.000 -0.083 0.000 0.989 172 Q CA 2.081 57.845 55.803 -0.065 0.000 0.853 172 Q CB -0.449 28.256 28.738 -0.055 0.000 0.907 172 Q HN 0.565 nan 8.270 nan 0.000 0.418 173 V N 1.174 121.054 119.914 -0.058 0.000 2.343 173 V HA -0.254 3.866 4.120 0.000 0.000 0.247 173 V C 2.235 178.284 176.094 -0.075 0.000 1.051 173 V CA 1.493 63.751 62.300 -0.071 0.000 1.036 173 V CB -0.591 31.209 31.823 -0.038 0.000 0.654 173 V HN 0.327 nan 8.190 nan 0.000 0.451 174 L N -0.422 120.765 121.223 -0.059 0.000 2.042 174 L HA -0.233 4.107 4.340 0.000 0.000 0.210 174 L C 2.631 179.467 176.870 -0.056 0.000 1.076 174 L CA 1.844 56.649 54.840 -0.058 0.000 0.749 174 L CB -0.598 41.426 42.059 -0.057 0.000 0.893 174 L HN 0.300 nan 8.230 nan 0.000 0.432 175 K N -0.016 120.348 120.400 -0.060 0.000 2.057 175 K HA -0.110 4.210 4.320 0.000 0.000 0.206 175 K C 2.040 178.587 176.600 -0.088 0.000 1.050 175 K CA 1.047 57.297 56.287 -0.062 0.000 0.935 175 K CB -0.204 32.258 32.500 -0.063 0.000 0.715 175 K HN 0.240 nan 8.250 nan 0.000 0.439 176 L N 1.085 122.216 121.223 -0.153 0.000 2.353 176 L HA -0.159 4.181 4.340 0.000 0.000 0.220 176 L C 1.898 178.687 176.870 -0.136 0.000 1.133 176 L CA 0.804 55.493 54.840 -0.251 0.000 0.798 176 L CB -0.149 41.548 42.059 -0.603 0.000 0.922 176 L HN 0.179 nan 8.230 nan 0.000 0.445 177 Q N -0.259 119.501 119.800 -0.067 0.000 2.246 177 Q HA 0.148 4.488 4.340 0.000 0.000 0.202 177 Q C 1.413 177.425 176.000 0.020 0.000 0.883 177 Q CA 0.686 56.485 55.803 -0.007 0.000 0.952 177 Q CB 0.914 29.643 28.738 -0.015 0.000 1.078 177 Q HN 0.526 nan 8.270 nan 0.000 0.493 178 G N 0.621 109.432 108.800 0.019 0.000 2.179 178 G HA2 -0.305 3.655 3.960 0.000 0.000 0.260 178 G HA3 -0.305 3.655 3.960 0.000 0.000 0.260 178 G C 0.439 175.331 174.900 -0.013 0.000 0.977 178 G CA 0.227 45.369 45.100 0.070 0.000 0.641 178 G HN 0.575 nan 8.290 nan 0.000 0.533 179 A N -0.698 122.100 122.820 -0.037 0.000 2.346 179 A HA 0.694 5.014 4.320 0.000 0.000 0.252 179 A C 0.445 177.995 177.584 -0.057 0.000 1.089 179 A CA 0.562 52.561 52.037 -0.062 0.000 0.797 179 A CB 1.047 20.014 19.000 -0.056 0.000 1.047 179 A HN 1.212 nan 8.150 nan 0.000 0.494 180 V N 2.704 122.590 119.914 -0.046 0.000 2.320 180 V HA 0.261 4.381 4.120 0.000 0.000 0.268 180 V C -2.572 173.589 176.094 0.112 0.000 1.021 180 V CA -1.405 60.892 62.300 -0.006 0.000 0.813 180 V CB 0.854 32.633 31.823 -0.073 0.000 1.054 180 V HN 0.712 nan 8.190 nan 0.000 0.444 181 P HA 0.136 nan 4.420 nan 0.000 0.264 181 P C 0.042 177.380 177.300 0.062 0.000 1.193 181 P CA 0.248 63.380 63.100 0.053 0.000 0.763 181 P CB 0.282 31.990 31.700 0.012 0.000 0.810 182 F N 2.709 122.570 119.950 -0.148 0.000 2.856 182 F HA 0.354 4.882 4.527 0.001 0.000 0.338 182 F C -0.359 175.404 175.800 -0.061 0.000 1.005 182 F CA -0.417 57.556 58.000 -0.044 0.000 1.155 182 F CB 0.058 39.156 39.000 0.164 0.000 1.010 182 F HN 0.097 nan 8.300 nan 0.000 0.587 183 V N -1.237 118.213 119.914 -0.773 0.000 2.971 183 V HA 0.536 4.656 4.120 0.000 0.000 0.309 183 V C -1.233 174.602 176.094 -0.431 0.000 1.130 183 V CA -0.967 60.992 62.300 -0.568 0.000 0.964 183 V CB 1.294 32.732 31.823 -0.641 0.000 1.029 183 V HN 0.293 nan 8.190 nan 0.000 0.427 184 H N 1.950 120.831 119.070 -0.315 0.000 2.527 184 H HA 0.651 5.207 4.556 0.001 0.000 0.321 184 H C 0.336 175.532 175.328 -0.219 0.000 1.087 184 H CA 0.173 56.085 56.048 -0.228 0.000 1.337 184 H CB 1.609 31.262 29.762 -0.182 0.000 1.440 184 H HN 1.033 nan 8.280 nan 0.000 0.490 185 T N 0.900 115.434 114.554 -0.034 0.000 2.925 185 T HA 0.174 4.524 4.350 0.000 0.000 0.285 185 T C 0.330 174.980 174.700 -0.083 0.000 1.021 185 T CA -1.199 60.851 62.100 -0.083 0.000 1.042 185 T CB 1.574 70.405 68.868 -0.063 0.000 1.037 185 T HN 0.423 nan 8.240 nan 0.000 0.481 186 N N 0.374 119.025 118.700 -0.082 0.000 2.453 186 N HA 0.406 5.146 4.740 0.000 0.000 0.253 186 N C -0.450 175.065 175.510 0.008 0.000 1.252 186 N CA -0.225 52.796 53.050 -0.049 0.000 0.917 186 N CB 0.591 39.071 38.487 -0.012 0.000 1.117 186 N HN 0.813 nan 8.380 nan 0.000 0.442 187 V N -0.390 119.549 119.914 0.042 0.000 3.078 187 V HA 0.745 4.865 4.120 0.000 0.000 0.311 187 V C -2.681 173.465 176.094 0.087 0.000 1.138 187 V CA -2.059 60.275 62.300 0.058 0.000 1.007 187 V CB 2.016 33.867 31.823 0.046 0.000 1.045 187 V HN 0.615 nan 8.190 nan 0.000 0.432 188 P HA 0.099 nan 4.420 nan 0.000 0.271 188 P C -0.433 176.950 177.300 0.140 0.000 1.218 188 P CA -0.050 63.114 63.100 0.106 0.000 0.780 188 P CB 0.640 32.397 31.700 0.094 0.000 0.901 189 Q N 2.178 122.070 119.800 0.154 0.000 2.478 189 Q HA -0.075 4.265 4.340 0.000 0.000 0.323 189 Q C 0.832 176.972 176.000 0.233 0.000 1.087 189 Q CA 1.558 57.459 55.803 0.162 0.000 1.056 189 Q CB -0.269 28.589 28.738 0.199 0.000 1.018 189 Q HN 0.760 nan 8.270 nan 0.000 0.387 190 S N 3.258 119.037 115.700 0.131 0.000 2.000 190 S HA -0.344 4.126 4.470 0.000 0.000 0.243 190 S C 0.714 175.469 174.600 0.257 0.000 1.092 190 S CA 1.377 59.697 58.200 0.202 0.000 1.426 190 S CB -1.447 62.041 63.200 0.480 0.000 1.779 190 S HN 1.003 nan 8.310 nan 0.000 0.565 191 M N -2.028 117.705 119.600 0.221 0.000 2.990 191 M HA -0.177 4.303 4.480 0.000 0.000 0.206 191 M C 0.118 176.525 176.300 0.179 0.000 0.594 191 M CA 1.434 56.821 55.300 0.144 0.000 0.787 191 M CB -2.015 30.611 32.600 0.043 0.000 2.812 191 M HN 0.560 nan 8.290 nan 0.000 0.300 192 F N 2.129 122.201 119.950 0.203 0.000 2.606 192 F HA 0.457 4.984 4.527 0.000 0.000 0.347 192 F C 0.474 176.342 175.800 0.113 0.000 1.207 192 F CA 0.180 58.254 58.000 0.124 0.000 1.306 192 F CB 0.434 39.461 39.000 0.044 0.000 1.657 192 F HN 0.103 nan 8.300 nan 0.000 0.606 193 S N 2.297 118.189 115.700 0.320 0.000 2.608 193 S HA 0.146 4.616 4.470 0.000 0.000 0.285 193 S C -0.669 173.992 174.600 0.101 0.000 1.108 193 S CA -0.659 57.637 58.200 0.161 0.000 0.858 193 S CB 0.458 63.722 63.200 0.107 0.000 1.077 193 S HN 0.465 nan 8.310 nan 0.000 0.450 194 Y N 1.567 121.776 120.300 -0.152 0.000 2.658 194 Y HA 0.589 5.139 4.550 0.000 0.000 0.276 194 Y C 0.234 175.991 175.900 -0.238 0.000 1.167 194 Y CA -0.584 57.321 58.100 -0.326 0.000 1.230 194 Y CB 0.017 37.873 38.460 -1.007 0.000 1.144 194 Y HN 0.517 nan 8.280 nan 0.000 0.529 195 D N -0.005 120.233 120.400 -0.270 0.000 2.541 195 D HA 0.316 4.956 4.640 0.000 0.000 0.276 195 D C -0.638 175.645 176.300 -0.029 0.000 1.190 195 D CA -0.717 53.195 54.000 -0.147 0.000 1.095 195 D CB 1.979 42.682 40.800 -0.162 0.000 1.173 195 D HN 0.166 nan 8.370 nan 0.000 0.604 196 C N 1.201 120.503 119.300 0.004 0.000 3.173 196 C HA 0.529 4.989 4.460 0.000 0.000 0.209 196 C C -0.908 174.111 174.990 0.048 0.000 1.229 196 C CA -0.254 58.787 59.018 0.038 0.000 1.109 196 C CB -1.510 26.258 27.740 0.047 0.000 1.833 196 C HN 0.357 nan 8.230 nan 0.000 0.626 197 S N 2.456 118.187 115.700 0.051 0.000 2.548 197 S HA 0.882 5.352 4.470 0.000 0.000 0.286 197 S C -0.835 173.813 174.600 0.081 0.000 1.098 197 S CA -0.313 57.923 58.200 0.059 0.000 0.930 197 S CB 1.331 64.551 63.200 0.035 0.000 1.070 197 S HN 0.908 nan 8.310 nan 0.000 0.480 198 N N 1.952 120.706 118.700 0.089 0.000 2.610 198 N HA 0.578 5.318 4.740 0.000 0.000 0.264 198 N C -2.867 172.666 175.510 0.038 0.000 1.348 198 N CA -1.568 51.533 53.050 0.086 0.000 0.819 198 N CB 1.266 39.821 38.487 0.113 0.000 1.521 198 N HN 0.184 nan 8.380 nan 0.000 0.497 199 P HA 0.060 nan 4.420 nan 0.000 0.230 199 P C 0.553 177.792 177.300 -0.102 0.000 1.158 199 P CA 0.691 63.769 63.100 -0.037 0.000 0.769 199 P CB 0.273 32.002 31.700 0.050 0.000 0.807 200 L N -2.703 118.419 121.223 -0.168 0.000 2.121 200 L HA 0.072 4.412 4.340 0.000 0.000 0.200 200 L C 1.716 178.268 176.870 -0.531 0.000 1.077 200 L CA 1.283 55.860 54.840 -0.438 0.000 0.766 200 L CB -0.743 40.881 42.059 -0.724 0.000 0.931 200 L HN -0.121 nan 8.230 nan 0.000 0.452 201 F N -0.139 119.820 119.950 0.014 0.000 2.695 201 F HA 0.401 4.928 4.527 0.001 0.000 0.303 201 F C 1.458 177.258 175.800 0.000 0.000 1.091 201 F CA 0.242 58.248 58.000 0.011 0.000 1.300 201 F CB -0.004 39.006 39.000 0.017 0.000 1.071 201 F HN 0.192 nan 8.300 nan 0.000 0.578 202 G N 0.908 109.770 108.800 0.102 0.000 2.642 202 G HA2 -0.302 3.658 3.960 0.000 0.000 0.231 202 G HA3 -0.302 3.658 3.960 0.000 0.000 0.231 202 G C -0.661 174.284 174.900 0.075 0.000 1.338 202 G CA -0.636 44.499 45.100 0.060 0.000 0.883 202 G HN 0.327 nan 8.290 nan 0.000 0.570 203 Q N -0.268 119.559 119.800 0.045 0.000 2.256 203 Q HA 0.625 4.965 4.340 0.000 0.000 0.254 203 Q C 0.139 176.162 176.000 0.038 0.000 0.916 203 Q CA 0.014 55.840 55.803 0.038 0.000 0.932 203 Q CB 0.893 29.643 28.738 0.019 0.000 1.207 203 Q HN 0.667 nan 8.270 nan 0.000 0.426 204 T N 4.625 119.205 114.554 0.042 0.000 2.882 204 T HA 0.479 4.829 4.350 0.000 0.000 0.287 204 T C -0.287 174.439 174.700 0.043 0.000 0.992 204 T CA -0.326 61.796 62.100 0.038 0.000 1.076 204 T CB 0.595 69.487 68.868 0.040 0.000 0.961 204 T HN 0.594 nan 8.240 nan 0.000 0.490 205 M N 2.797 122.421 119.600 0.040 0.000 2.578 205 M HA 0.369 4.849 4.480 0.000 0.000 0.321 205 M C 0.425 176.772 176.300 0.079 0.000 1.182 205 M CA -0.951 54.379 55.300 0.051 0.000 0.965 205 M CB 1.276 33.894 32.600 0.030 0.000 1.694 205 M HN 0.440 nan 8.290 nan 0.000 0.461 206 N N 2.731 121.497 118.700 0.110 0.000 2.492 206 N HA 0.127 4.867 4.740 0.000 0.000 0.262 206 N C -2.004 173.600 175.510 0.157 0.000 1.202 206 N CA -1.123 52.029 53.050 0.169 0.000 0.926 206 N CB 1.118 39.720 38.487 0.190 0.000 1.078 206 N HN 0.335 nan 8.380 nan 0.000 0.454 207 P HA 0.018 nan 4.420 nan 0.000 0.229 207 P C 0.714 178.013 177.300 -0.003 0.000 1.160 207 P CA 0.881 64.005 63.100 0.040 0.000 0.777 207 P CB 0.028 31.711 31.700 -0.030 0.000 0.814 208 W N 0.881 122.191 121.300 0.017 0.000 2.518 208 W HA 0.170 4.830 4.660 0.000 0.000 0.273 208 W C 0.956 177.474 176.519 -0.002 0.000 1.247 208 W CA 0.631 57.981 57.345 0.008 0.000 1.288 208 W CB 0.110 29.576 29.460 0.010 0.000 1.107 208 W HN -0.128 nan 8.180 nan 0.000 0.586 209 K N -0.165 120.357 120.400 0.203 0.000 2.592 209 K HA 0.053 4.373 4.320 0.000 0.000 0.265 209 K C 0.655 177.300 176.600 0.075 0.000 1.006 209 K CA 0.241 56.594 56.287 0.110 0.000 0.907 209 K CB 0.889 33.448 32.500 0.098 0.000 1.309 209 K HN -0.155 nan 8.250 nan 0.000 0.452 210 S N 0.845 116.571 115.700 0.044 0.000 2.515 210 S HA -0.106 4.365 4.470 0.000 0.000 0.231 210 S C 1.304 175.919 174.600 0.025 0.000 0.987 210 S CA 1.245 59.464 58.200 0.032 0.000 0.936 210 S CB -0.091 63.117 63.200 0.012 0.000 0.766 210 S HN 0.579 nan 8.310 nan 0.000 0.528 211 S N 0.259 115.971 115.700 0.020 0.000 2.593 211 S HA 0.268 4.738 4.470 0.000 0.000 0.217 211 S C 0.460 175.065 174.600 0.008 0.000 0.966 211 S CA -0.397 57.809 58.200 0.009 0.000 0.914 211 S CB -0.146 63.054 63.200 0.001 0.000 0.776 211 S HN 0.194 nan 8.310 nan 0.000 0.523 212 K N 2.252 122.666 120.400 0.023 0.000 2.130 212 K HA 0.410 4.731 4.320 0.000 0.000 0.268 212 K C -0.103 176.532 176.600 0.059 0.000 0.983 212 K CA -0.307 55.992 56.287 0.020 0.000 0.893 212 K CB 1.629 34.136 32.500 0.012 0.000 1.066 212 K HN 0.203 nan 8.250 nan 0.000 0.450 213 S N 2.855 118.599 115.700 0.075 0.000 2.560 213 S HA 0.095 4.565 4.470 0.000 0.000 0.284 213 S C -1.414 173.339 174.600 0.255 0.000 1.327 213 S CA -0.979 57.307 58.200 0.144 0.000 1.055 213 S CB 0.385 63.684 63.200 0.166 0.000 0.868 213 S HN 0.344 nan 8.310 nan 0.000 0.506 214 P HA 0.212 nan 4.420 nan 0.000 0.249 214 P C 0.828 178.290 177.300 0.271 0.000 1.229 214 P CA 0.724 63.973 63.100 0.249 0.000 0.788 214 P CB -0.676 31.116 31.700 0.154 0.000 1.072 215 G N -0.807 108.152 108.800 0.265 0.000 2.760 215 G HA2 0.233 4.193 3.960 0.000 0.000 0.246 215 G HA3 0.233 4.193 3.960 0.000 0.000 0.246 215 G C -0.293 174.606 174.900 -0.001 0.000 1.359 215 G CA -0.627 44.441 45.100 -0.053 0.000 0.861 215 G HN 0.623 nan 8.290 nan 0.000 0.541 216 G N -2.688 106.112 108.800 -0.001 0.000 2.349 216 G HA2 0.697 4.657 3.960 0.000 0.000 0.294 216 G HA3 0.697 4.657 3.960 0.000 0.000 0.294 216 G C 0.818 175.799 174.900 0.135 0.000 1.380 216 G CA 0.895 46.030 45.100 0.059 0.000 0.811 216 G HN 2.185 nan 8.290 nan 0.000 0.519 217 S N -1.088 114.685 115.700 0.123 0.000 2.522 217 S HA 0.045 4.515 4.470 0.000 0.000 0.227 217 S C 1.366 176.007 174.600 0.068 0.000 0.986 217 S CA 1.286 59.535 58.200 0.082 0.000 0.929 217 S CB 0.015 63.258 63.200 0.073 0.000 0.769 217 S HN 0.740 nan 8.310 nan 0.000 0.529 218 S N 1.783 117.527 115.700 0.074 0.000 3.122 218 S HA 0.344 4.814 4.470 0.000 0.000 0.249 218 S C 1.504 176.140 174.600 0.060 0.000 1.334 218 S CA 0.001 58.242 58.200 0.069 0.000 1.251 218 S CB -0.225 63.022 63.200 0.078 0.000 1.034 218 S HN 0.685 nan 8.310 nan 0.000 0.478 219 G N 1.977 110.811 108.800 0.057 0.000 2.403 219 G HA2 -0.029 3.932 3.960 0.000 0.000 0.216 219 G HA3 -0.029 3.932 3.960 0.000 0.000 0.216 219 G C 1.353 176.286 174.900 0.054 0.000 1.154 219 G CA 0.483 45.619 45.100 0.060 0.000 0.784 219 G HN 0.595 nan 8.290 nan 0.000 0.538 220 G N 0.758 109.579 108.800 0.034 0.000 2.421 220 G HA2 -0.147 3.813 3.960 0.000 0.000 0.216 220 G HA3 -0.147 3.813 3.960 0.000 0.000 0.216 220 G C 1.639 176.546 174.900 0.011 0.000 1.171 220 G CA 1.079 46.186 45.100 0.011 0.000 0.775 220 G HN 0.339 nan 8.290 nan 0.000 0.543 221 E N 0.766 120.976 120.200 0.017 0.000 2.058 221 E HA -0.102 4.248 4.350 0.000 0.000 0.194 221 E C 2.782 179.406 176.600 0.040 0.000 0.997 221 E CA 1.136 57.545 56.400 0.015 0.000 0.801 221 E CB -1.013 28.699 29.700 0.020 0.000 0.746 221 E HN 0.344 nan 8.360 nan 0.000 0.450 222 G N 1.207 110.044 108.800 0.061 0.000 2.446 222 G HA2 -0.256 3.705 3.960 0.000 0.000 0.217 222 G HA3 -0.256 3.705 3.960 0.000 0.000 0.217 222 G C 1.750 176.717 174.900 0.113 0.000 1.168 222 G CA 1.689 46.844 45.100 0.093 0.000 0.771 222 G HN 0.417 nan 8.290 nan 0.000 0.551 223 A N 0.120 122.997 122.820 0.096 0.000 1.897 223 A HA 0.165 4.485 4.320 0.000 0.000 0.215 223 A C 2.361 179.984 177.584 0.065 0.000 1.181 223 A CA 1.642 53.736 52.037 0.095 0.000 0.620 223 A CB -0.438 18.604 19.000 0.070 0.000 0.821 223 A HN 0.433 nan 8.150 nan 0.000 0.443 224 L N 0.112 121.360 121.223 0.042 0.000 2.005 224 L HA -0.080 4.260 4.340 0.000 0.000 0.207 224 L C 2.235 179.142 176.870 0.062 0.000 1.072 224 L CA 1.905 56.766 54.840 0.034 0.000 0.744 224 L CB -0.479 41.582 42.059 0.003 0.000 0.895 224 L HN 0.420 nan 8.230 nan 0.000 0.433 225 I N -0.411 120.197 120.570 0.062 0.000 2.315 225 I HA -0.180 3.990 4.170 0.000 0.000 0.248 225 I C 2.363 178.536 176.117 0.094 0.000 1.117 225 I CA 1.220 62.565 61.300 0.075 0.000 1.404 225 I CB -1.019 37.014 38.000 0.055 0.000 1.071 225 I HN 0.433 nan 8.210 nan 0.000 0.419 226 G N 0.032 108.900 108.800 0.114 0.000 2.509 226 G HA2 -0.171 3.789 3.960 0.000 0.000 0.218 226 G HA3 -0.171 3.789 3.960 0.000 0.000 0.218 226 G C 1.484 176.429 174.900 0.075 0.000 1.124 226 G CA 0.951 46.149 45.100 0.164 0.000 0.776 226 G HN 0.523 nan 8.290 nan 0.000 0.547 227 S N -1.741 113.976 115.700 0.029 0.000 2.559 227 S HA 0.445 4.915 4.470 0.000 0.000 0.226 227 S C 1.470 176.063 174.600 -0.011 0.000 1.000 227 S CA 0.775 58.948 58.200 -0.044 0.000 0.948 227 S CB 0.529 63.694 63.200 -0.059 0.000 0.870 227 S HN 1.357 nan 8.310 nan 0.000 0.497 228 G N 0.529 109.359 108.800 0.049 0.000 2.144 228 G HA2 -0.151 3.809 3.960 0.000 0.000 0.218 228 G HA3 -0.151 3.809 3.960 0.000 0.000 0.218 228 G C 0.776 175.776 174.900 0.167 0.000 0.988 228 G CA -0.090 45.062 45.100 0.087 0.000 0.659 228 G HN 0.963 nan 8.290 nan 0.000 0.522 229 G N -0.690 108.212 108.800 0.170 0.000 2.985 229 G HA2 0.466 4.426 3.960 0.000 0.000 0.209 229 G HA3 0.466 4.426 3.960 0.000 0.000 0.209 229 G C 0.443 175.582 174.900 0.398 0.000 1.165 229 G CA 1.462 46.704 45.100 0.238 0.000 0.776 229 G HN 1.563 nan 8.290 nan 0.000 0.541 230 S N -0.557 115.322 115.700 0.299 0.000 2.543 230 S HA 0.518 4.988 4.470 0.000 0.000 0.273 230 S C -2.509 172.054 174.600 -0.061 0.000 1.152 230 S CA -0.852 57.401 58.200 0.088 0.000 0.910 230 S CB 2.397 65.669 63.200 0.120 0.000 1.105 230 S HN -0.098 nan 8.310 nan 0.000 0.465 231 P HA 0.302 nan 4.420 nan 0.000 0.251 231 P C -0.277 176.951 177.300 -0.121 0.000 1.223 231 P CA 0.118 63.093 63.100 -0.207 0.000 0.796 231 P CB 0.110 31.590 31.700 -0.368 0.000 1.068 232 L N -1.004 120.149 121.223 -0.116 0.000 2.592 232 L HA 0.754 5.094 4.340 0.000 0.000 0.258 232 L C -1.146 175.674 176.870 -0.084 0.000 0.926 232 L CA -0.439 54.347 54.840 -0.090 0.000 0.885 232 L CB 1.739 43.734 42.059 -0.107 0.000 1.380 232 L HN -0.009 nan 8.230 nan 0.000 0.415 233 G N 3.502 112.251 108.800 -0.085 0.000 2.725 233 G HA2 0.718 4.678 3.960 0.000 0.000 0.288 233 G HA3 0.718 4.678 3.960 0.000 0.000 0.288 233 G C -2.052 172.760 174.900 -0.147 0.000 1.399 233 G CA -0.787 44.245 45.100 -0.114 0.000 0.859 233 G HN 0.625 nan 8.290 nan 0.000 0.479 234 L N 0.269 121.349 121.223 -0.238 0.000 2.365 234 L HA 0.767 5.107 4.340 0.000 0.000 0.273 234 L C 0.657 177.492 176.870 -0.059 0.000 1.000 234 L CA -0.724 53.942 54.840 -0.291 0.000 0.819 234 L CB 2.141 43.732 42.059 -0.781 0.000 1.284 234 L HN 0.775 nan 8.230 nan 0.000 0.418 235 G N 0.435 109.316 108.800 0.136 0.000 3.042 235 G HA2 0.791 4.751 3.960 0.000 0.000 0.278 235 G HA3 0.791 4.751 3.960 0.000 0.000 0.278 235 G C -0.885 174.201 174.900 0.311 0.000 1.371 235 G CA -0.321 44.939 45.100 0.267 0.000 1.009 235 G HN 0.528 nan 8.290 nan 0.000 0.523 236 T N -2.356 112.297 114.554 0.164 0.000 2.887 236 T HA 0.688 5.038 4.350 0.000 0.000 0.292 236 T C -1.846 172.870 174.700 0.027 0.000 1.087 236 T CA -0.755 61.386 62.100 0.068 0.000 1.009 236 T CB 2.685 71.526 68.868 -0.045 0.000 1.203 236 T HN 0.505 nan 8.240 nan 0.000 0.518 237 D N 0.280 120.676 120.400 -0.006 0.000 2.738 237 D HA 0.305 4.945 4.640 0.000 0.000 0.218 237 D C -0.360 175.910 176.300 -0.050 0.000 1.345 237 D CA -0.484 53.508 54.000 -0.014 0.000 0.943 237 D CB 1.930 42.728 40.800 -0.003 0.000 1.514 237 D HN 0.612 nan 8.370 nan 0.000 0.585 238 I N 1.749 122.267 120.570 -0.085 0.000 4.187 238 I HA 0.282 4.452 4.170 0.000 0.000 0.326 238 I C 1.307 177.374 176.117 -0.083 0.000 1.302 238 I CA 0.277 61.499 61.300 -0.129 0.000 1.196 238 I CB 0.824 38.665 38.000 -0.266 0.000 1.095 238 I HN 0.499 nan 8.210 nan 0.000 0.411 239 G N -0.812 107.977 108.800 -0.017 0.000 4.162 239 G HA2 0.360 4.320 3.960 0.000 0.000 0.252 239 G HA3 0.360 4.320 3.960 0.000 0.000 0.252 239 G C 0.723 175.680 174.900 0.095 0.000 1.064 239 G CA 0.491 45.624 45.100 0.055 0.000 0.850 239 G HN 0.349 nan 8.290 nan 0.000 0.454 240 G N -0.073 108.743 108.800 0.027 0.000 2.507 240 G HA2 -0.141 3.819 3.960 0.000 0.000 0.205 240 G HA3 -0.141 3.819 3.960 0.000 0.000 0.205 240 G C 1.051 175.940 174.900 -0.019 0.000 0.996 240 G CA 0.599 45.575 45.100 -0.208 0.000 0.776 240 G HN 0.303 nan 8.290 nan 0.000 0.532 241 S N -0.056 115.721 115.700 0.129 0.000 2.547 241 S HA 0.149 4.619 4.470 0.000 0.000 0.235 241 S C 2.046 176.697 174.600 0.084 0.000 0.980 241 S CA 1.009 59.306 58.200 0.163 0.000 0.941 241 S CB -0.053 63.206 63.200 0.099 0.000 0.763 241 S HN 0.527 nan 8.310 nan 0.000 0.532 242 I N 0.135 120.720 120.570 0.025 0.000 2.927 242 I HA 0.049 4.219 4.170 0.000 0.000 0.268 242 I C 2.376 178.475 176.117 -0.030 0.000 1.153 242 I CA 0.461 61.768 61.300 0.012 0.000 1.459 242 I CB 0.082 38.088 38.000 0.011 0.000 1.149 242 I HN 0.103 nan 8.210 nan 0.000 0.443 243 R N -0.048 120.385 120.500 -0.111 0.000 2.080 243 R HA -0.010 4.330 4.340 0.000 0.000 0.222 243 R C 2.199 178.366 176.300 -0.223 0.000 1.107 243 R CA 1.175 57.163 56.100 -0.188 0.000 0.980 243 R CB -0.291 29.850 30.300 -0.266 0.000 0.879 243 R HN 0.101 nan 8.270 nan 0.000 0.439 244 F N 1.397 121.229 119.950 -0.197 0.000 2.065 244 F HA -0.142 4.385 4.527 0.000 0.000 0.298 244 F C -0.598 174.896 175.800 -0.510 0.000 1.112 244 F CA 1.280 58.999 58.000 -0.468 0.000 1.212 244 F CB -1.490 37.206 39.000 -0.507 0.000 0.975 244 F HN 0.048 nan 8.300 nan 0.000 0.476 245 P HA -0.053 nan 4.420 nan 0.000 0.220 245 P C 1.635 178.974 177.300 0.065 0.000 1.152 245 P CA 1.562 64.661 63.100 -0.001 0.000 0.812 245 P CB -0.058 31.669 31.700 0.044 0.000 0.792 246 S N 0.424 116.145 115.700 0.036 0.000 2.356 246 S HA -0.108 4.363 4.470 0.000 0.000 0.223 246 S C 2.204 176.848 174.600 0.074 0.000 1.032 246 S CA 1.559 59.788 58.200 0.049 0.000 1.005 246 S CB -1.023 62.184 63.200 0.013 0.000 0.867 246 S HN 0.186 nan 8.310 nan 0.000 0.449 247 A N 1.090 123.957 122.820 0.079 0.000 1.898 247 A HA 0.026 4.346 4.320 0.000 0.000 0.216 247 A C 1.800 179.539 177.584 0.258 0.000 1.181 247 A CA 1.154 53.274 52.037 0.137 0.000 0.620 247 A CB -0.771 18.324 19.000 0.159 0.000 0.819 247 A HN 0.435 nan 8.150 nan 0.000 0.442 248 F N -0.310 119.659 119.950 0.032 0.000 2.216 248 F HA -0.125 4.402 4.527 0.000 0.000 0.300 248 F C 2.251 178.017 175.800 -0.057 0.000 1.085 248 F CA 0.148 58.151 58.000 0.004 0.000 1.326 248 F CB -1.089 37.961 39.000 0.084 0.000 1.027 248 F HN 0.241 nan 8.300 nan 0.000 0.497 249 C N -0.835 118.595 119.300 0.217 0.000 2.906 249 C HA 0.543 5.003 4.460 0.000 0.000 0.274 249 C C 1.680 176.818 174.990 0.246 0.000 1.257 249 C CA 0.233 59.399 59.018 0.247 0.000 1.695 249 C CB -0.731 27.181 27.740 0.286 0.000 1.958 249 C HN 0.695 nan 8.230 nan 0.000 0.619 250 G N 2.133 110.967 108.800 0.057 0.000 2.212 250 G HA2 -0.208 3.752 3.960 0.000 0.000 0.255 250 G HA3 -0.208 3.752 3.960 0.000 0.000 0.255 250 G C -0.210 174.773 174.900 0.138 0.000 1.062 250 G CA 0.574 45.698 45.100 0.040 0.000 0.815 250 G HN 0.759 nan 8.290 nan 0.000 0.497 251 I N -3.835 116.800 120.570 0.108 0.000 3.206 251 I HA 0.828 4.998 4.170 0.000 0.000 0.313 251 I C 0.388 176.533 176.117 0.046 0.000 1.103 251 I CA -1.705 59.649 61.300 0.090 0.000 0.985 251 I CB 1.740 39.800 38.000 0.100 0.000 1.240 251 I HN 0.037 nan 8.210 nan 0.000 0.464 252 C N 1.744 121.064 119.300 0.032 0.000 2.365 252 C HA 0.893 5.353 4.460 0.000 0.000 0.351 252 C C 0.601 175.594 174.990 0.005 0.000 1.240 252 C CA -0.048 58.976 59.018 0.009 0.000 2.062 252 C CB 0.138 27.882 27.740 0.006 0.000 2.387 252 C HN 0.982 nan 8.230 nan 0.000 0.537 253 G N 1.537 110.332 108.800 -0.007 0.000 2.706 253 G HA2 0.646 4.607 3.960 0.000 0.000 0.297 253 G HA3 0.646 4.607 3.960 0.000 0.000 0.297 253 G C -2.004 172.889 174.900 -0.013 0.000 1.403 253 G CA -0.347 44.748 45.100 -0.008 0.000 0.954 253 G HN 0.672 nan 8.290 nan 0.000 0.500 254 L N 0.557 121.778 121.223 -0.005 0.000 2.385 254 L HA 0.740 5.080 4.340 0.000 0.000 0.273 254 L C -0.381 176.495 176.870 0.011 0.000 0.990 254 L CA -0.877 53.965 54.840 0.003 0.000 0.821 254 L CB 2.006 44.074 42.059 0.015 0.000 1.279 254 L HN 0.453 nan 8.230 nan 0.000 0.412 255 K N 6.748 127.153 120.400 0.009 0.000 2.334 255 K HA 0.560 4.880 4.320 0.000 0.000 0.265 255 K C -2.660 173.952 176.600 0.019 0.000 1.039 255 K CA -1.736 54.560 56.287 0.015 0.000 0.920 255 K CB 1.307 33.811 32.500 0.006 0.000 1.160 255 K HN 0.382 nan 8.250 nan 0.000 0.451 256 P HA 0.082 nan 4.420 nan 0.000 0.275 256 P C -0.726 176.548 177.300 -0.044 0.000 1.266 256 P CA -0.383 62.724 63.100 0.012 0.000 0.793 256 P CB 0.375 32.105 31.700 0.051 0.000 1.074 257 T N 0.456 114.926 114.554 -0.140 0.000 2.923 257 T HA 0.026 4.376 4.350 0.000 0.000 0.304 257 T C 1.916 176.497 174.700 -0.199 0.000 1.044 257 T CA 0.876 62.787 62.100 -0.314 0.000 1.141 257 T CB -0.149 68.224 68.868 -0.826 0.000 1.023 257 T HN 0.604 nan 8.240 nan 0.000 0.533 258 G N 2.124 110.827 108.800 -0.162 0.000 2.505 258 G HA2 -0.283 3.677 3.960 0.000 0.000 0.220 258 G HA3 -0.283 3.677 3.960 0.000 0.000 0.220 258 G C 1.304 176.211 174.900 0.012 0.000 1.145 258 G CA 0.684 45.751 45.100 -0.055 0.000 0.761 258 G HN 0.684 nan 8.290 nan 0.000 0.571 259 N N -0.676 118.043 118.700 0.032 0.000 2.251 259 N HA 0.115 4.855 4.740 0.000 0.000 0.217 259 N C 1.729 177.464 175.510 0.375 0.000 1.124 259 N CA -0.200 52.977 53.050 0.212 0.000 0.843 259 N CB 0.036 38.692 38.487 0.283 0.000 1.024 259 N HN 0.155 nan 8.380 nan 0.000 0.501 260 R N -0.254 120.430 120.500 0.306 0.000 2.092 260 R HA 0.177 4.517 4.340 0.000 0.000 0.231 260 R C -0.081 176.399 176.300 0.299 0.000 1.119 260 R CA 1.248 57.591 56.100 0.404 0.000 0.970 260 R CB 0.026 30.498 30.300 0.286 0.000 0.864 260 R HN 0.206 nan 8.270 nan 0.000 0.440 261 L N -0.527 120.825 121.223 0.214 0.000 2.333 261 L HA 0.374 4.714 4.340 0.000 0.000 0.269 261 L C -0.194 176.776 176.870 0.167 0.000 1.010 261 L CA -1.101 53.850 54.840 0.186 0.000 0.818 261 L CB 1.840 43.986 42.059 0.146 0.000 1.306 261 L HN -0.059 nan 8.230 nan 0.000 0.430 262 S N 0.504 116.298 115.700 0.156 0.000 2.531 262 S HA 0.130 4.600 4.470 0.000 0.000 0.279 262 S C 0.571 175.243 174.600 0.119 0.000 1.305 262 S CA -0.185 58.096 58.200 0.134 0.000 1.058 262 S CB 0.416 63.689 63.200 0.121 0.000 0.899 262 S HN 0.628 nan 8.310 nan 0.000 0.493 263 K N 2.698 123.153 120.400 0.091 0.000 2.372 263 K HA 0.106 4.426 4.320 0.000 0.000 0.200 263 K C 0.419 177.046 176.600 0.046 0.000 1.022 263 K CA -0.093 56.230 56.287 0.059 0.000 1.125 263 K CB 0.386 32.907 32.500 0.036 0.000 0.855 263 K HN 0.557 nan 8.250 nan 0.000 0.524 264 S N 0.429 116.166 115.700 0.061 0.000 2.509 264 S HA 0.175 4.645 4.470 0.000 0.000 0.287 264 S C 1.158 175.785 174.600 0.044 0.000 1.248 264 S CA 0.996 59.226 58.200 0.050 0.000 1.089 264 S CB 0.025 63.258 63.200 0.055 0.000 0.900 264 S HN 0.651 nan 8.310 nan 0.000 0.496 265 G N 3.489 112.306 108.800 0.028 0.000 2.175 265 G HA2 -0.211 3.749 3.960 0.000 0.000 0.244 265 G HA3 -0.211 3.749 3.960 0.000 0.000 0.244 265 G C -0.075 174.835 174.900 0.017 0.000 0.982 265 G CA 0.052 45.168 45.100 0.026 0.000 0.641 265 G HN 0.738 nan 8.290 nan 0.000 0.527 266 L N 0.762 121.978 121.223 -0.012 0.000 2.456 266 L HA 0.536 4.877 4.340 0.000 0.000 0.272 266 L C 0.811 177.650 176.870 -0.052 0.000 1.189 266 L CA -0.049 54.738 54.840 -0.088 0.000 0.846 266 L CB 0.860 42.818 42.059 -0.168 0.000 1.111 266 L HN 0.230 nan 8.230 nan 0.000 0.475 267 K N 1.891 122.250 120.400 -0.068 0.000 2.276 267 K HA 0.585 4.905 4.320 0.000 0.000 0.283 267 K C -0.111 176.486 176.600 -0.004 0.000 1.044 267 K CA 0.161 56.440 56.287 -0.014 0.000 0.944 267 K CB 0.818 33.308 32.500 -0.017 0.000 1.012 267 K HN 0.675 nan 8.250 nan 0.000 0.472 268 G N 1.066 109.929 108.800 0.105 0.000 2.816 268 G HA2 0.396 4.356 3.960 0.000 0.000 0.288 268 G HA3 0.396 4.356 3.960 0.000 0.000 0.288 268 G C -0.004 174.976 174.900 0.134 0.000 1.334 268 G CA -0.303 44.864 45.100 0.111 0.000 0.978 268 G HN 0.849 nan 8.290 nan 0.000 0.493 269 C N -2.101 117.159 119.300 -0.067 0.000 3.730 269 C HA 0.627 5.088 4.460 0.000 0.000 0.397 269 C C 0.016 174.680 174.990 -0.542 0.000 1.468 269 C CA -0.465 58.448 59.018 -0.176 0.000 1.931 269 C CB -0.425 27.321 27.740 0.010 0.000 2.773 269 C HN 0.368 nan 8.230 nan 0.000 0.692 270 V N 2.037 121.598 119.914 -0.590 0.000 2.577 270 V HA 0.531 4.651 4.120 0.000 0.000 0.303 270 V C -1.574 174.198 176.094 -0.537 0.000 1.042 270 V CA -0.199 61.775 62.300 -0.544 0.000 0.872 270 V CB 1.381 33.138 31.823 -0.110 0.000 0.998 270 V HN 0.372 nan 8.190 nan 0.000 0.423 271 Y N 1.593 121.928 120.300 0.058 0.000 2.364 271 Y HA 0.700 5.250 4.550 0.000 0.000 0.340 271 Y C 1.095 177.018 175.900 0.038 0.000 0.975 271 Y CA -0.598 57.524 58.100 0.037 0.000 1.089 271 Y CB 1.849 40.330 38.460 0.035 0.000 1.192 271 Y HN 0.851 nan 8.280 nan 0.000 0.454 272 G N 1.389 110.286 108.800 0.161 0.000 2.159 272 G HA2 -0.255 3.705 3.960 0.000 0.000 0.256 272 G HA3 -0.255 3.705 3.960 0.000 0.000 0.256 272 G C 0.010 174.954 174.900 0.073 0.000 0.977 272 G CA -0.195 44.972 45.100 0.111 0.000 0.652 272 G HN 0.559 nan 8.290 nan 0.000 0.531 273 Q N 1.150 120.975 119.800 0.042 0.000 2.314 273 Q HA 0.496 4.836 4.340 0.000 0.000 0.257 273 Q C 1.225 177.228 176.000 0.006 0.000 0.975 273 Q CA 0.882 56.692 55.803 0.013 0.000 0.933 273 Q CB 0.812 29.532 28.738 -0.031 0.000 1.195 273 Q HN 0.612 nan 8.270 nan 0.000 0.426 274 T N -0.207 114.358 114.554 0.019 0.000 3.058 274 T HA 0.290 4.640 4.350 0.000 0.000 0.278 274 T C 1.380 176.085 174.700 0.010 0.000 0.974 274 T CA 0.388 62.499 62.100 0.018 0.000 0.893 274 T CB 0.362 69.254 68.868 0.039 0.000 1.138 274 T HN 0.385 nan 8.240 nan 0.000 0.529 275 A N 1.744 124.567 122.820 0.005 0.000 1.865 275 A HA 0.247 4.567 4.320 0.000 0.000 0.217 275 A C 1.135 178.700 177.584 -0.033 0.000 1.191 275 A CA 1.220 53.253 52.037 -0.006 0.000 0.623 275 A CB -0.666 18.328 19.000 -0.011 0.000 0.826 275 A HN 0.471 nan 8.150 nan 0.000 0.444 276 V N 1.327 121.209 119.914 -0.054 0.000 2.293 276 V HA 0.241 4.361 4.120 0.000 0.000 0.275 276 V C -0.525 175.527 176.094 -0.071 0.000 1.021 276 V CA -0.519 61.738 62.300 -0.071 0.000 0.815 276 V CB 0.831 32.595 31.823 -0.098 0.000 1.025 276 V HN 0.545 nan 8.190 nan 0.000 0.448 277 Q N 2.607 122.376 119.800 -0.052 0.000 2.299 277 Q HA 0.470 4.810 4.340 0.000 0.000 0.246 277 Q C -0.378 175.587 176.000 -0.059 0.000 0.935 277 Q CA -0.684 55.093 55.803 -0.044 0.000 0.887 277 Q CB 1.795 30.520 28.738 -0.022 0.000 1.223 277 Q HN 0.591 nan 8.270 nan 0.000 0.439 278 L N 1.205 122.392 121.223 -0.061 0.000 2.439 278 L HA 0.254 4.594 4.340 0.000 0.000 0.269 278 L C -0.440 176.410 176.870 -0.033 0.000 1.179 278 L CA 0.792 55.593 54.840 -0.066 0.000 0.828 278 L CB 1.318 43.331 42.059 -0.076 0.000 1.106 278 L HN 0.560 nan 8.230 nan 0.000 0.467 279 S N 3.874 119.559 115.700 -0.024 0.000 2.526 279 S HA 0.783 5.253 4.470 0.000 0.000 0.293 279 S C -0.987 173.634 174.600 0.036 0.000 1.092 279 S CA -0.814 57.390 58.200 0.006 0.000 0.980 279 S CB 1.078 64.278 63.200 -0.001 0.000 1.048 279 S HN 0.677 nan 8.310 nan 0.000 0.483 280 L N 2.257 123.528 121.223 0.079 0.000 2.330 280 L HA 1.131 5.471 4.340 0.000 0.000 0.271 280 L C 0.042 176.988 176.870 0.127 0.000 1.013 280 L CA -0.183 54.748 54.840 0.151 0.000 0.816 280 L CB 1.526 43.740 42.059 0.259 0.000 1.287 280 L HN 0.786 nan 8.230 nan 0.000 0.435 281 G N 0.763 109.636 108.800 0.123 0.000 2.506 281 G HA2 0.592 4.552 3.960 0.000 0.000 0.292 281 G HA3 0.592 4.552 3.960 0.000 0.000 0.292 281 G C -3.400 171.513 174.900 0.022 0.000 1.425 281 G CA -0.816 44.320 45.100 0.059 0.000 0.788 281 G HN 0.603 nan 8.290 nan 0.000 0.490 282 P HA 0.599 nan 4.420 nan 0.000 0.282 282 P C -0.879 176.405 177.300 -0.026 0.000 1.259 282 P CA -0.425 62.648 63.100 -0.044 0.000 0.826 282 P CB 1.673 33.334 31.700 -0.065 0.000 1.064 283 M N 1.181 120.762 119.600 -0.031 0.000 2.530 283 M HA 0.771 5.251 4.480 0.000 0.000 0.307 283 M C -0.445 175.845 176.300 -0.018 0.000 1.161 283 M CA -0.401 54.892 55.300 -0.013 0.000 0.903 283 M CB 2.733 35.336 32.600 0.004 0.000 1.711 283 M HN 0.512 nan 8.290 nan 0.000 0.451 284 A N 1.073 123.893 122.820 -0.001 0.000 2.483 284 A HA 0.560 4.880 4.320 0.000 0.000 0.294 284 A C -0.435 177.164 177.584 0.024 0.000 1.077 284 A CA -0.781 51.256 52.037 0.001 0.000 0.633 284 A CB 1.127 20.116 19.000 -0.020 0.000 1.318 284 A HN 0.888 nan 8.150 nan 0.000 0.455 285 R N -0.243 120.276 120.500 0.032 0.000 2.240 285 R HA 0.095 4.435 4.340 0.000 0.000 0.203 285 R C -0.601 175.726 176.300 0.045 0.000 1.011 285 R CA 1.532 57.664 56.100 0.052 0.000 1.007 285 R CB -0.065 30.272 30.300 0.062 0.000 0.911 285 R HN 0.829 nan 8.270 nan 0.000 0.468 286 D N -3.135 117.284 120.400 0.032 0.000 2.615 286 D HA 0.073 4.713 4.640 0.000 0.000 0.267 286 D C 0.583 176.900 176.300 0.029 0.000 1.236 286 D CA -0.757 53.263 54.000 0.033 0.000 0.839 286 D CB 0.934 41.758 40.800 0.040 0.000 1.380 286 D HN -0.338 nan 8.370 nan 0.000 0.433 287 V N -0.121 119.820 119.914 0.045 0.000 2.427 287 V HA -0.160 3.960 4.120 0.000 0.000 0.248 287 V C 2.245 178.380 176.094 0.069 0.000 1.051 287 V CA 2.106 64.443 62.300 0.062 0.000 1.048 287 V CB -0.756 31.126 31.823 0.098 0.000 0.666 287 V HN 0.710 nan 8.190 nan 0.000 0.456 288 E N 0.714 120.973 120.200 0.099 0.000 2.118 288 E HA -0.178 4.172 4.350 0.000 0.000 0.195 288 E C 2.334 178.921 176.600 -0.021 0.000 0.992 288 E CA 1.713 58.171 56.400 0.095 0.000 0.804 288 E CB -0.338 29.432 29.700 0.117 0.000 0.741 288 E HN 0.571 nan 8.360 nan 0.000 0.458 289 S N 0.055 115.743 115.700 -0.021 0.000 2.383 289 S HA -0.137 4.333 4.470 0.000 0.000 0.229 289 S C 1.890 176.429 174.600 -0.101 0.000 1.030 289 S CA 1.184 59.350 58.200 -0.057 0.000 1.002 289 S CB -0.317 62.861 63.200 -0.036 0.000 0.829 289 S HN 0.270 nan 8.310 nan 0.000 0.467 290 L N 1.190 122.361 121.223 -0.088 0.000 2.017 290 L HA -0.139 4.201 4.340 0.000 0.000 0.208 290 L C 2.881 179.624 176.870 -0.211 0.000 1.073 290 L CA 1.270 56.045 54.840 -0.108 0.000 0.745 290 L CB -0.938 41.087 42.059 -0.057 0.000 0.894 290 L HN 0.323 nan 8.230 nan 0.000 0.432 291 A N 0.321 122.961 122.820 -0.300 0.000 1.883 291 A HA -0.245 4.075 4.320 0.000 0.000 0.217 291 A C 2.243 179.414 177.584 -0.689 0.000 1.186 291 A CA 1.891 53.561 52.037 -0.611 0.000 0.624 291 A CB -0.806 17.655 19.000 -0.899 0.000 0.822 291 A HN 0.317 nan 8.150 nan 0.000 0.444 292 L N -0.140 120.844 121.223 -0.397 0.000 1.989 292 L HA -0.207 4.133 4.340 0.000 0.000 0.211 292 L C 2.626 179.321 176.870 -0.291 0.000 1.071 292 L CA 2.312 56.970 54.840 -0.302 0.000 0.749 292 L CB -1.239 40.724 42.059 -0.159 0.000 0.890 292 L HN 0.551 nan 8.230 nan 0.000 0.431 293 C N -0.901 118.259 119.300 -0.233 0.000 2.393 293 C HA -0.206 4.254 4.460 0.000 0.000 0.276 293 C C 2.793 177.656 174.990 -0.211 0.000 1.215 293 C CA 1.252 60.159 59.018 -0.186 0.000 1.743 293 C CB -1.176 26.478 27.740 -0.144 0.000 2.044 293 C HN 0.629 nan 8.230 nan 0.000 0.464 294 L N 1.233 122.291 121.223 -0.275 0.000 2.042 294 L HA -0.129 4.211 4.340 0.000 0.000 0.210 294 L C 2.603 179.283 176.870 -0.316 0.000 1.076 294 L CA 2.274 56.971 54.840 -0.239 0.000 0.749 294 L CB -0.811 41.128 42.059 -0.199 0.000 0.893 294 L HN 0.434 nan 8.230 nan 0.000 0.432 295 K N -1.057 118.962 120.400 -0.636 0.000 2.148 295 K HA -0.144 4.176 4.320 0.000 0.000 0.204 295 K C 1.958 178.447 176.600 -0.186 0.000 1.050 295 K CA 1.194 57.203 56.287 -0.463 0.000 0.942 295 K CB -0.072 32.086 32.500 -0.571 0.000 0.724 295 K HN 0.341 nan 8.250 nan 0.000 0.446 296 A N 0.936 123.646 122.820 -0.182 0.000 1.897 296 A HA -0.028 4.292 4.320 0.000 0.000 0.215 296 A C 2.019 179.545 177.584 -0.097 0.000 1.181 296 A CA 0.889 52.861 52.037 -0.109 0.000 0.620 296 A CB -0.416 18.525 19.000 -0.098 0.000 0.821 296 A HN 0.288 nan 8.150 nan 0.000 0.443 297 L N -0.719 120.441 121.223 -0.104 0.000 2.156 297 L HA 0.001 4.341 4.340 0.000 0.000 0.208 297 L C 0.633 177.413 176.870 -0.149 0.000 1.095 297 L CA 0.464 55.249 54.840 -0.093 0.000 0.770 297 L CB -0.318 41.709 42.059 -0.055 0.000 0.914 297 L HN 0.257 nan 8.230 nan 0.000 0.439 298 L N 1.286 122.442 121.223 -0.111 0.000 2.583 298 L HA 0.117 4.457 4.340 0.000 0.000 0.239 298 L C 0.069 176.746 176.870 -0.322 0.000 1.347 298 L CA -0.660 54.095 54.840 -0.142 0.000 1.246 298 L CB -0.562 41.616 42.059 0.199 0.000 1.496 298 L HN 0.367 nan 8.230 nan 0.000 0.413 299 C N -3.271 115.690 119.300 -0.565 0.000 2.771 299 C HA 0.456 4.916 4.460 0.000 0.000 0.333 299 C C 1.789 176.405 174.990 -0.622 0.000 1.267 299 C CA -0.876 57.898 59.018 -0.407 0.000 1.721 299 C CB 1.978 29.607 27.740 -0.185 0.000 2.222 299 C HN 0.487 nan 8.230 nan 0.000 0.485 300 E N 0.321 120.348 120.200 -0.288 0.000 2.147 300 E HA -0.220 4.130 4.350 0.000 0.000 0.199 300 E C 1.936 178.423 176.600 -0.187 0.000 1.005 300 E CA 1.919 58.224 56.400 -0.159 0.000 0.810 300 E CB -0.430 29.180 29.700 -0.149 0.000 0.736 300 E HN 0.757 nan 8.360 nan 0.000 0.460 301 H N 0.074 119.066 119.070 -0.130 0.000 2.319 301 H HA -0.152 4.404 4.556 -0.000 0.000 0.297 301 H C 2.378 177.638 175.328 -0.113 0.000 1.097 301 H CA 1.386 57.377 56.048 -0.095 0.000 1.285 301 H CB -0.606 29.103 29.762 -0.088 0.000 1.368 301 H HN 0.151 nan 8.280 nan 0.000 0.495 302 L N 0.215 121.369 121.223 -0.115 0.000 2.017 302 L HA -0.155 4.185 4.340 0.000 0.000 0.208 302 L C 2.067 178.936 176.870 -0.002 0.000 1.073 302 L CA 1.266 56.030 54.840 -0.128 0.000 0.745 302 L CB -0.409 41.483 42.059 -0.279 0.000 0.894 302 L HN -0.041 nan 8.230 nan 0.000 0.432 303 F N -0.346 119.630 119.950 0.044 0.000 2.293 303 F HA -0.108 4.419 4.527 0.001 0.000 0.300 303 F C 2.678 178.490 175.800 0.021 0.000 1.086 303 F CA 1.298 59.313 58.000 0.025 0.000 1.375 303 F CB -1.834 37.169 39.000 0.006 0.000 1.045 303 F HN 0.307 nan 8.300 nan 0.000 0.516 304 T N -2.458 112.198 114.554 0.171 0.000 2.976 304 T HA 0.013 4.363 4.350 0.000 0.000 0.257 304 T C 2.073 176.826 174.700 0.089 0.000 1.051 304 T CA 0.545 62.711 62.100 0.110 0.000 1.141 304 T CB -0.746 68.168 68.868 0.077 0.000 0.881 304 T HN 0.255 nan 8.240 nan 0.000 0.461 305 L N 0.825 122.099 121.223 0.086 0.000 2.201 305 L HA 0.116 4.456 4.340 0.000 0.000 0.212 305 L C 0.804 177.717 176.870 0.072 0.000 1.105 305 L CA 1.107 55.987 54.840 0.067 0.000 0.775 305 L CB -0.117 41.974 42.059 0.055 0.000 0.913 305 L HN 0.307 nan 8.230 nan 0.000 0.440 306 D N -1.551 118.908 120.400 0.098 0.000 2.405 306 D HA 0.187 4.827 4.640 0.000 0.000 0.264 306 D C -1.982 174.389 176.300 0.119 0.000 1.240 306 D CA -1.786 52.273 54.000 0.099 0.000 0.893 306 D CB 1.200 42.062 40.800 0.103 0.000 1.198 306 D HN -0.194 nan 8.370 nan 0.000 0.514 307 P HA -0.093 nan 4.420 nan 0.000 0.225 307 P C 1.339 178.669 177.300 0.049 0.000 1.148 307 P CA 1.092 64.233 63.100 0.068 0.000 0.779 307 P CB 0.095 31.822 31.700 0.044 0.000 0.780 308 T N -4.248 110.341 114.554 0.059 0.000 3.072 308 T HA 0.007 4.357 4.350 0.000 0.000 0.266 308 T C 0.732 175.470 174.700 0.064 0.000 1.127 308 T CA 0.274 62.406 62.100 0.052 0.000 1.107 308 T CB -0.887 68.016 68.868 0.058 0.000 0.910 308 T HN -0.171 nan 8.240 nan 0.000 0.513 309 V N 4.812 124.782 119.914 0.094 0.000 2.406 309 V HA 0.328 4.448 4.120 0.000 0.000 0.272 309 V C -2.046 174.047 176.094 -0.001 0.000 1.043 309 V CA -2.337 60.033 62.300 0.118 0.000 0.915 309 V CB 0.967 32.925 31.823 0.226 0.000 0.988 309 V HN 0.327 nan 8.190 nan 0.000 0.466 310 P HA 0.112 nan 4.420 nan 0.000 0.263 310 P C -2.542 174.452 177.300 -0.511 0.000 1.195 310 P CA -1.277 61.645 63.100 -0.297 0.000 0.762 310 P CB 0.067 31.504 31.700 -0.438 0.000 0.799 311 P HA 0.189 nan 4.420 nan 0.000 0.237 311 P C -0.418 176.270 177.300 -1.019 0.000 1.788 311 P CA 0.100 62.184 63.100 -1.693 0.000 1.061 311 P CB -0.069 30.994 31.700 -1.061 0.000 1.967 312 L N 4.910 125.755 121.223 -0.630 0.000 2.270 312 L HA 0.339 4.679 4.340 0.000 0.000 0.286 312 L C -1.699 175.250 176.870 0.131 0.000 1.059 312 L CA -2.233 52.496 54.840 -0.185 0.000 0.839 312 L CB 0.913 42.906 42.059 -0.110 0.000 1.221 312 L HN 0.061 nan 8.230 nan 0.000 0.431 313 P HA -0.083 nan 4.420 nan 0.000 0.269 313 P C -0.449 176.992 177.300 0.234 0.000 1.215 313 P CA -0.311 62.961 63.100 0.285 0.000 0.780 313 P CB 0.604 32.418 31.700 0.189 0.000 0.898 314 F N 2.836 122.854 119.950 0.113 0.000 2.557 314 F HA 0.070 4.597 4.527 0.000 0.000 0.384 314 F C 1.077 176.920 175.800 0.072 0.000 1.057 314 F CA 0.011 58.057 58.000 0.076 0.000 1.169 314 F CB 0.149 39.172 39.000 0.038 0.000 1.070 314 F HN 0.162 nan 8.300 nan 0.000 0.554 315 R N 5.936 126.213 120.500 -0.371 0.000 2.429 315 R HA 0.031 4.372 4.340 0.000 0.000 0.302 315 R C 1.360 177.478 176.300 -0.304 0.000 1.268 315 R CA -0.138 55.817 56.100 -0.242 0.000 1.090 315 R CB 0.195 30.393 30.300 -0.170 0.000 1.102 315 R HN 0.738 nan 8.270 nan 0.000 0.522 316 E N 2.488 122.653 120.200 -0.058 0.000 2.077 316 E HA -0.246 4.105 4.350 0.000 0.000 0.193 316 E C 1.662 178.318 176.600 0.094 0.000 0.989 316 E CA 1.369 57.846 56.400 0.129 0.000 0.800 316 E CB 0.268 30.108 29.700 0.232 0.000 0.746 316 E HN 0.618 nan 8.360 nan 0.000 0.452 317 E N 1.192 121.415 120.200 0.037 0.000 2.160 317 E HA -0.156 4.194 4.350 0.000 0.000 0.195 317 E C 2.145 178.744 176.600 -0.001 0.000 0.991 317 E CA 1.109 57.521 56.400 0.019 0.000 0.810 317 E CB -0.541 29.164 29.700 0.008 0.000 0.742 317 E HN 0.116 nan 8.360 nan 0.000 0.466 318 V N 0.640 120.539 119.914 -0.026 0.000 2.323 318 V HA -0.228 3.893 4.120 0.000 0.000 0.244 318 V C 2.381 178.487 176.094 0.020 0.000 1.041 318 V CA 1.764 64.050 62.300 -0.023 0.000 1.025 318 V CB -0.986 30.803 31.823 -0.056 0.000 0.656 318 V HN 0.250 nan 8.190 nan 0.000 0.451 319 Y N 1.829 122.066 120.300 -0.106 0.000 2.165 319 Y HA -0.213 4.337 4.550 -0.000 0.000 0.286 319 Y C 2.448 178.382 175.900 0.056 0.000 1.155 319 Y CA 1.716 59.814 58.100 -0.003 0.000 1.164 319 Y CB -0.216 38.292 38.460 0.079 0.000 0.978 319 Y HN 0.127 nan 8.280 nan 0.000 0.513 320 R N 0.179 120.598 120.500 -0.134 0.000 2.310 320 R HA 0.083 4.423 4.340 0.000 0.000 0.202 320 R C 1.003 177.232 176.300 -0.119 0.000 0.933 320 R CA 0.437 56.415 56.100 -0.203 0.000 1.054 320 R CB -0.060 30.216 30.300 -0.041 0.000 0.985 320 R HN 0.158 nan 8.270 nan 0.000 0.489 321 S N 0.923 116.577 115.700 -0.078 0.000 2.563 321 S HA -0.003 4.467 4.470 0.000 0.000 0.284 321 S C 0.785 175.361 174.600 -0.039 0.000 1.331 321 S CA -0.070 58.106 58.200 -0.040 0.000 1.047 321 S CB 0.701 63.890 63.200 -0.018 0.000 0.859 321 S HN 0.318 nan 8.310 nan 0.000 0.514 322 S N 3.464 119.156 115.700 -0.013 0.000 2.901 322 S HA 0.373 4.843 4.470 0.000 0.000 0.248 322 S C -0.109 174.507 174.600 0.026 0.000 1.021 322 S CA -0.844 57.361 58.200 0.010 0.000 1.090 322 S CB 0.011 63.209 63.200 -0.003 0.000 1.039 322 S HN 0.738 nan 8.310 nan 0.000 0.514 323 R N 1.656 122.172 120.500 0.026 0.000 2.582 323 R HA 0.427 4.767 4.340 0.000 0.000 0.271 323 R C -2.680 173.654 176.300 0.056 0.000 1.078 323 R CA -1.717 54.396 56.100 0.021 0.000 1.127 323 R CB -0.235 30.071 30.300 0.010 0.000 1.038 323 R HN 0.201 nan 8.270 nan 0.000 0.500 324 P HA -0.021 nan 4.420 nan 0.000 0.265 324 P C -0.830 176.539 177.300 0.114 0.000 1.193 324 P CA 0.502 63.618 63.100 0.027 0.000 0.765 324 P CB 0.458 32.124 31.700 -0.056 0.000 0.823 325 L N 3.586 124.975 121.223 0.277 0.000 2.334 325 L HA 0.471 4.811 4.340 0.000 0.000 0.276 325 L C 0.832 177.689 176.870 -0.022 0.000 1.014 325 L CA -0.844 54.020 54.840 0.040 0.000 0.815 325 L CB 1.499 43.470 42.059 -0.148 0.000 1.268 325 L HN 0.198 nan 8.230 nan 0.000 0.428 326 R N 1.929 122.370 120.500 -0.098 0.000 2.210 326 R HA 0.376 4.716 4.340 0.000 0.000 0.338 326 R C -1.075 175.071 176.300 -0.257 0.000 1.062 326 R CA -0.392 55.628 56.100 -0.134 0.000 0.902 326 R CB 0.887 31.113 30.300 -0.124 0.000 1.050 326 R HN 0.294 nan 8.270 nan 0.000 0.461 327 V N 3.101 122.876 119.914 -0.231 0.000 2.328 327 V HA 0.330 4.450 4.120 0.000 0.000 0.278 327 V C 0.861 176.862 176.094 -0.156 0.000 1.021 327 V CA -0.913 61.200 62.300 -0.312 0.000 0.838 327 V CB 1.471 33.109 31.823 -0.309 0.000 0.999 327 V HN 0.908 nan 8.190 nan 0.000 0.447 328 G N 4.172 112.801 108.800 -0.286 0.000 2.483 328 G HA2 0.490 4.451 3.960 0.000 0.000 0.248 328 G HA3 0.490 4.451 3.960 0.000 0.000 0.248 328 G C -0.925 174.057 174.900 0.137 0.000 1.248 328 G CA -0.045 44.966 45.100 -0.150 0.000 0.838 328 G HN 1.002 nan 8.290 nan 0.000 0.566 329 Y N 0.112 120.486 120.300 0.123 0.000 2.592 329 Y HA 0.662 5.212 4.550 0.000 0.000 0.334 329 Y C -1.572 174.505 175.900 0.294 0.000 1.136 329 Y CA -2.070 56.108 58.100 0.130 0.000 1.042 329 Y CB 1.284 39.776 38.460 0.054 0.000 1.325 329 Y HN 0.829 nan 8.280 nan 0.000 0.457 330 Y N -0.367 119.997 120.300 0.106 0.000 2.534 330 Y HA 0.623 5.173 4.550 0.000 0.000 0.345 330 Y C -0.075 175.957 175.900 0.220 0.000 1.031 330 Y CA -1.384 56.740 58.100 0.041 0.000 1.022 330 Y CB 1.901 40.414 38.460 0.089 0.000 1.292 330 Y HN 0.742 nan 8.280 nan 0.000 0.459 331 E N 0.546 120.950 120.200 0.341 0.000 2.318 331 E HA 0.079 4.429 4.350 0.000 0.000 0.193 331 E C -0.061 176.736 176.600 0.329 0.000 0.998 331 E CA 0.959 57.527 56.400 0.279 0.000 0.859 331 E CB 0.650 30.498 29.700 0.248 0.000 0.812 331 E HN 0.635 nan 8.360 nan 0.000 0.492 332 T N 0.365 115.209 114.554 0.483 0.000 2.942 332 T HA 0.060 4.411 4.350 0.000 0.000 0.327 332 T C -1.040 174.037 174.700 0.627 0.000 1.360 332 T CA -0.746 61.713 62.100 0.598 0.000 1.055 332 T CB 1.580 70.741 68.868 0.489 0.000 1.261 332 T HN -0.009 nan 8.240 nan 0.000 0.485 333 D N 2.348 123.123 120.400 0.625 0.000 2.340 333 D HA 0.087 4.727 4.640 0.000 0.000 0.220 333 D C 0.646 177.007 176.300 0.102 0.000 1.039 333 D CA 0.046 54.172 54.000 0.210 0.000 0.866 333 D CB -0.765 40.008 40.800 -0.044 0.000 0.913 333 D HN 0.838 nan 8.370 nan 0.000 0.523 334 N N -1.850 116.930 118.700 0.134 0.000 2.753 334 N HA -0.309 4.431 4.740 0.000 0.000 0.251 334 N C -0.372 175.121 175.510 -0.028 0.000 1.097 334 N CA 0.926 53.825 53.050 -0.251 0.000 0.786 334 N CB -1.237 37.088 38.487 -0.269 0.000 1.137 334 N HN 0.385 nan 8.380 nan 0.000 0.566 335 Y N -0.541 119.904 120.300 0.241 0.000 2.921 335 Y HA 0.220 4.770 4.550 0.000 0.000 0.246 335 Y C 0.432 176.683 175.900 0.586 0.000 1.030 335 Y CA 0.574 58.922 58.100 0.413 0.000 1.338 335 Y CB 0.917 39.487 38.460 0.183 0.000 1.493 335 Y HN -0.094 nan 8.280 nan 0.000 0.452 336 T N 3.567 118.443 114.554 0.537 0.000 2.753 336 T HA 0.252 4.603 4.350 0.000 0.000 0.297 336 T C -0.320 174.699 174.700 0.532 0.000 0.981 336 T CA -0.430 61.964 62.100 0.489 0.000 0.956 336 T CB 0.431 69.578 68.868 0.464 0.000 0.936 336 T HN 0.235 nan 8.240 nan 0.000 0.463 337 M N 6.987 126.684 119.600 0.162 0.000 2.284 337 M HA 0.127 4.607 4.480 0.000 0.000 0.351 337 M C -2.011 174.491 176.300 0.337 0.000 1.443 337 M CA -1.130 54.100 55.300 -0.117 0.000 1.031 337 M CB 0.589 32.719 32.600 -0.783 0.000 1.893 337 M HN 0.231 nan 8.290 nan 0.000 0.456 338 P HA 0.100 nan 4.420 nan 0.000 0.271 338 P C -0.937 176.538 177.300 0.293 0.000 1.218 338 P CA -0.318 62.955 63.100 0.287 0.000 0.780 338 P CB 0.514 32.326 31.700 0.187 0.000 0.901 339 S N 2.471 118.283 115.700 0.186 0.000 2.576 339 S HA 0.105 4.575 4.470 0.000 0.000 0.272 339 S C -1.621 173.041 174.600 0.104 0.000 1.352 339 S CA -0.718 57.553 58.200 0.118 0.000 1.021 339 S CB -0.611 62.577 63.200 -0.020 0.000 0.887 339 S HN 0.301 nan 8.310 nan 0.000 0.542 340 P HA -0.103 nan 4.420 nan 0.000 0.216 340 P C 1.522 178.840 177.300 0.029 0.000 1.150 340 P CA 1.929 65.067 63.100 0.064 0.000 0.843 340 P CB -0.228 31.505 31.700 0.054 0.000 0.787 341 A N -1.295 121.528 122.820 0.005 0.000 1.898 341 A HA -0.162 4.158 4.320 0.000 0.000 0.216 341 A C 2.188 179.758 177.584 -0.024 0.000 1.181 341 A CA 1.672 53.698 52.037 -0.019 0.000 0.620 341 A CB -1.374 17.599 19.000 -0.045 0.000 0.819 341 A HN 0.098 nan 8.150 nan 0.000 0.442 342 M N -1.270 118.317 119.600 -0.021 0.000 2.108 342 M HA -0.163 4.318 4.480 0.000 0.000 0.261 342 M C 2.409 178.696 176.300 -0.023 0.000 1.066 342 M CA 1.952 57.228 55.300 -0.041 0.000 1.107 342 M CB -0.263 32.303 32.600 -0.057 0.000 1.356 342 M HN 0.465 nan 8.290 nan 0.000 0.406 343 R N 0.132 120.643 120.500 0.019 0.000 2.066 343 R HA -0.134 4.206 4.340 0.000 0.000 0.232 343 R C 2.332 178.650 176.300 0.031 0.000 1.131 343 R CA 1.516 57.643 56.100 0.045 0.000 0.955 343 R CB -0.179 30.168 30.300 0.079 0.000 0.851 343 R HN 0.265 nan 8.270 nan 0.000 0.432 344 R N 0.186 120.698 120.500 0.019 0.000 2.083 344 R HA -0.144 4.196 4.340 0.000 0.000 0.237 344 R C 2.134 178.430 176.300 -0.007 0.000 1.137 344 R CA 1.670 57.775 56.100 0.009 0.000 0.951 344 R CB -0.389 29.914 30.300 0.004 0.000 0.851 344 R HN 0.301 nan 8.270 nan 0.000 0.434 345 A N 1.793 124.601 122.820 -0.021 0.000 1.903 345 A HA -0.218 4.103 4.320 0.000 0.000 0.219 345 A C 2.159 179.720 177.584 -0.038 0.000 1.191 345 A CA 1.581 53.595 52.037 -0.037 0.000 0.638 345 A CB -0.855 18.113 19.000 -0.053 0.000 0.823 345 A HN 0.441 nan 8.150 nan 0.000 0.451 346 L N -0.206 120.999 121.223 -0.030 0.000 2.017 346 L HA -0.122 4.218 4.340 0.000 0.000 0.208 346 L C 2.369 179.230 176.870 -0.016 0.000 1.073 346 L CA 2.155 56.983 54.840 -0.021 0.000 0.745 346 L CB -0.912 41.148 42.059 0.003 0.000 0.894 346 L HN 0.483 nan 8.230 nan 0.000 0.432 347 I N 0.098 120.669 120.570 0.002 0.000 2.286 347 I HA -0.296 3.874 4.170 0.000 0.000 0.248 347 I C 2.446 178.541 176.117 -0.036 0.000 1.115 347 I CA 1.136 62.430 61.300 -0.010 0.000 1.392 347 I CB -0.167 37.846 38.000 0.022 0.000 1.065 347 I HN 0.330 nan 8.210 nan 0.000 0.418 348 E N 0.117 120.301 120.200 -0.026 0.000 2.106 348 E HA -0.162 4.188 4.350 0.000 0.000 0.192 348 E C 2.124 178.701 176.600 -0.037 0.000 0.984 348 E CA 1.677 58.060 56.400 -0.028 0.000 0.806 348 E CB -0.080 29.608 29.700 -0.021 0.000 0.750 348 E HN 0.468 nan 8.360 nan 0.000 0.458 349 T N 1.311 115.837 114.554 -0.046 0.000 2.777 349 T HA -0.149 4.201 4.350 0.000 0.000 0.266 349 T C 1.779 176.446 174.700 -0.056 0.000 1.040 349 T CA 0.971 63.042 62.100 -0.049 0.000 1.141 349 T CB -0.071 68.760 68.868 -0.062 0.000 0.868 349 T HN 0.075 nan 8.240 nan 0.000 0.444 350 K N 1.205 121.543 120.400 -0.102 0.000 2.044 350 K HA -0.214 4.106 4.320 0.000 0.000 0.210 350 K C 2.275 178.795 176.600 -0.133 0.000 1.049 350 K CA 1.658 57.828 56.287 -0.195 0.000 0.927 350 K CB -0.227 32.026 32.500 -0.412 0.000 0.713 350 K HN 0.422 nan 8.250 nan 0.000 0.443 351 Q N -0.116 119.627 119.800 -0.095 0.000 2.084 351 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 351 Q C 2.317 178.304 176.000 -0.022 0.000 0.978 351 Q CA 1.579 57.349 55.803 -0.055 0.000 0.844 351 Q CB -0.066 28.650 28.738 -0.038 0.000 0.898 351 Q HN 0.316 nan 8.270 nan 0.000 0.426 352 R N 0.193 120.687 120.500 -0.011 0.000 2.115 352 R HA -0.053 4.287 4.340 0.000 0.000 0.226 352 R C 2.314 178.649 176.300 0.058 0.000 1.100 352 R CA 0.771 56.880 56.100 0.015 0.000 0.980 352 R CB -0.260 30.046 30.300 0.010 0.000 0.875 352 R HN 0.255 nan 8.270 nan 0.000 0.445 353 L N 0.896 122.158 121.223 0.066 0.000 2.017 353 L HA -0.193 4.148 4.340 0.000 0.000 0.208 353 L C 2.268 179.248 176.870 0.183 0.000 1.073 353 L CA 1.555 56.498 54.840 0.171 0.000 0.745 353 L CB -0.398 41.712 42.059 0.085 0.000 0.894 353 L HN 0.215 nan 8.230 nan 0.000 0.432 354 E N 0.117 120.353 120.200 0.059 0.000 2.077 354 E HA -0.236 4.114 4.350 0.000 0.000 0.193 354 E C 2.270 178.877 176.600 0.011 0.000 0.989 354 E CA 1.178 57.593 56.400 0.025 0.000 0.800 354 E CB -0.248 29.444 29.700 -0.015 0.000 0.746 354 E HN 0.509 nan 8.360 nan 0.000 0.452 355 A N 1.297 124.124 122.820 0.012 0.000 2.019 355 A HA -0.063 4.257 4.320 0.000 0.000 0.219 355 A C 2.220 179.798 177.584 -0.009 0.000 1.164 355 A CA 1.486 53.523 52.037 0.000 0.000 0.644 355 A CB -0.351 18.650 19.000 0.003 0.000 0.805 355 A HN 0.263 nan 8.150 nan 0.000 0.449 356 A N -2.014 120.812 122.820 0.010 0.000 2.278 356 A HA 0.443 4.763 4.320 0.000 0.000 0.212 356 A C 1.615 179.065 177.584 -0.224 0.000 1.213 356 A CA 1.078 53.090 52.037 -0.042 0.000 0.840 356 A CB -0.788 18.251 19.000 0.065 0.000 0.866 356 A HN 1.800 nan 8.150 nan 0.000 0.489 357 G N -1.269 107.416 108.800 -0.192 0.000 2.179 357 G HA2 -0.178 3.782 3.960 0.000 0.000 0.220 357 G HA3 -0.178 3.782 3.960 0.000 0.000 0.220 357 G C 0.093 174.821 174.900 -0.287 0.000 0.990 357 G CA 0.099 45.057 45.100 -0.236 0.000 0.646 357 G HN 0.653 nan 8.290 nan 0.000 0.517 358 H N 0.618 119.676 119.070 -0.020 0.000 2.547 358 H HA 0.495 5.051 4.556 0.000 0.000 0.362 358 H C -0.011 175.293 175.328 -0.040 0.000 1.181 358 H CA 0.794 56.821 56.048 -0.035 0.000 1.376 358 H CB 0.923 30.665 29.762 -0.033 0.000 1.488 358 H HN 0.108 nan 8.280 nan 0.000 0.583 359 T N 3.692 118.292 114.554 0.078 0.000 2.749 359 T HA 0.229 4.580 4.350 0.000 0.000 0.287 359 T C 0.264 174.977 174.700 0.022 0.000 0.970 359 T CA -0.724 61.394 62.100 0.029 0.000 0.980 359 T CB 0.472 69.344 68.868 0.006 0.000 0.924 359 T HN 0.118 nan 8.240 nan 0.000 0.456 360 L N 4.847 126.090 121.223 0.034 0.000 2.280 360 L HA 0.555 4.895 4.340 0.000 0.000 0.287 360 L C -0.365 176.637 176.870 0.221 0.000 1.023 360 L CA -0.406 54.472 54.840 0.063 0.000 0.819 360 L CB 1.078 43.074 42.059 -0.106 0.000 1.212 360 L HN 0.667 nan 8.230 nan 0.000 0.420 361 I N 5.976 126.712 120.570 0.277 0.000 2.382 361 I HA 0.315 4.485 4.170 0.000 0.000 0.286 361 I C -2.162 174.055 176.117 0.166 0.000 1.002 361 I CA -1.896 59.524 61.300 0.199 0.000 1.135 361 I CB 2.164 40.194 38.000 0.050 0.000 1.288 361 I HN 0.340 nan 8.210 nan 0.000 0.448 362 P HA 0.134 nan 4.420 nan 0.000 0.267 362 P C -1.074 176.222 177.300 -0.007 0.000 1.205 362 P CA 0.223 63.143 63.100 -0.299 0.000 0.765 362 P CB 0.256 31.840 31.700 -0.193 0.000 0.828 363 F N 4.357 124.197 119.950 -0.184 0.000 2.622 363 F HA 0.553 5.080 4.527 0.000 0.000 0.318 363 F C -2.164 173.641 175.800 0.008 0.000 1.135 363 F CA -0.939 57.026 58.000 -0.059 0.000 1.015 363 F CB 1.325 40.296 39.000 -0.048 0.000 1.275 363 F HN 0.099 nan 8.300 nan 0.000 0.457 364 L N 8.082 128.926 121.223 -0.632 0.000 2.439 364 L HA 0.690 5.030 4.340 0.000 0.000 0.270 364 L C -2.672 173.785 176.870 -0.689 0.000 0.972 364 L CA -1.863 52.620 54.840 -0.596 0.000 0.836 364 L CB 1.952 43.736 42.059 -0.458 0.000 1.255 364 L HN 0.332 nan 8.230 nan 0.000 0.404 365 P HA 0.106 nan 4.420 nan 0.000 0.264 365 P C -1.175 176.019 177.300 -0.177 0.000 1.183 365 P CA 0.105 63.078 63.100 -0.213 0.000 0.763 365 P CB 0.207 31.907 31.700 -0.001 0.000 0.807 366 N N 1.853 120.489 118.700 -0.106 0.000 2.453 366 N HA 0.023 4.763 4.740 0.000 0.000 0.253 366 N C 0.054 175.637 175.510 0.122 0.000 1.252 366 N CA -0.354 52.679 53.050 -0.028 0.000 0.917 366 N CB -0.186 38.297 38.487 -0.006 0.000 1.117 366 N HN 0.256 nan 8.380 nan 0.000 0.442 367 N N -0.198 118.535 118.700 0.055 0.000 2.740 367 N HA -0.192 4.548 4.740 0.000 0.000 0.248 367 N C 0.294 175.812 175.510 0.013 0.000 1.062 367 N CA 0.604 53.693 53.050 0.064 0.000 0.704 367 N CB -0.940 37.615 38.487 0.113 0.000 0.968 367 N HN 0.663 nan 8.380 nan 0.000 0.547 368 I N 0.554 121.102 120.570 -0.037 0.000 2.151 368 I HA -0.222 3.948 4.170 0.000 0.000 0.243 368 I C -0.543 175.440 176.117 -0.223 0.000 1.080 368 I CA 1.636 62.850 61.300 -0.143 0.000 1.339 368 I CB -0.887 37.016 38.000 -0.162 0.000 1.039 368 I HN 0.192 nan 8.210 nan 0.000 0.409 369 P HA -0.218 nan 4.420 nan 0.000 0.217 369 P C 1.536 178.794 177.300 -0.070 0.000 1.150 369 P CA 1.408 64.476 63.100 -0.053 0.000 0.832 369 P CB -0.172 31.661 31.700 0.221 0.000 0.787 370 Y N 1.281 121.460 120.300 -0.202 0.000 2.097 370 Y HA -0.205 4.345 4.550 0.000 0.000 0.282 370 Y C 2.394 178.057 175.900 -0.395 0.000 1.152 370 Y CA 1.621 59.563 58.100 -0.263 0.000 1.136 370 Y CB -1.254 37.047 38.460 -0.264 0.000 0.975 370 Y HN -0.103 nan 8.280 nan 0.000 0.498 371 A N 0.367 122.825 122.820 -0.605 0.000 1.948 371 A HA -0.181 4.139 4.320 0.000 0.000 0.220 371 A C 2.320 179.586 177.584 -0.529 0.000 1.177 371 A CA 2.160 53.723 52.037 -0.790 0.000 0.636 371 A CB -1.090 17.485 19.000 -0.708 0.000 0.815 371 A HN 0.580 nan 8.150 nan 0.000 0.449 372 L N -1.647 119.310 121.223 -0.444 0.000 2.102 372 L HA -0.057 4.283 4.340 0.000 0.000 0.202 372 L C 2.566 179.139 176.870 -0.494 0.000 1.076 372 L CA 1.303 55.904 54.840 -0.398 0.000 0.761 372 L CB -0.612 41.189 42.059 -0.429 0.000 0.921 372 L HN 0.391 nan 8.230 nan 0.000 0.444 373 E N -0.293 119.621 120.200 -0.477 0.000 2.076 373 E HA -0.102 4.248 4.350 0.000 0.000 0.190 373 E C 2.141 178.493 176.600 -0.414 0.000 0.979 373 E CA 0.942 56.993 56.400 -0.581 0.000 0.807 373 E CB 0.210 29.761 29.700 -0.249 0.000 0.761 373 E HN 0.212 nan 8.360 nan 0.000 0.454 374 V N 0.818 120.540 119.914 -0.320 0.000 2.521 374 V HA -0.074 4.046 4.120 0.000 0.000 0.239 374 V C 2.122 178.025 176.094 -0.318 0.000 1.053 374 V CA 0.784 62.934 62.300 -0.251 0.000 1.073 374 V CB -0.274 31.474 31.823 -0.125 0.000 0.746 374 V HN 0.160 nan 8.190 nan 0.000 0.476 375 L N -0.233 120.692 121.223 -0.497 0.000 2.049 375 L HA -0.048 4.293 4.340 0.000 0.000 0.203 375 L C 2.614 179.314 176.870 -0.282 0.000 1.074 375 L CA 1.464 56.048 54.840 -0.427 0.000 0.749 375 L CB -0.725 40.970 42.059 -0.607 0.000 0.907 375 L HN 0.257 nan 8.230 nan 0.000 0.439 376 S N -0.427 115.095 115.700 -0.296 0.000 2.335 376 S HA -0.154 4.316 4.470 0.000 0.000 0.216 376 S C 2.040 176.557 174.600 -0.140 0.000 1.032 376 S CA 1.875 59.956 58.200 -0.199 0.000 1.000 376 S CB -0.375 62.712 63.200 -0.190 0.000 0.928 376 S HN 0.372 nan 8.310 nan 0.000 0.434 377 T N 1.656 116.105 114.554 -0.174 0.000 2.746 377 T HA -0.061 4.289 4.350 0.000 0.000 0.267 377 T C 2.028 176.749 174.700 0.034 0.000 1.039 377 T CA 1.377 63.450 62.100 -0.044 0.000 1.142 377 T CB -0.934 67.769 68.868 -0.275 0.000 0.866 377 T HN 0.536 nan 8.240 nan 0.000 0.444 378 G N 0.941 109.700 108.800 -0.069 0.000 2.440 378 G HA2 -0.086 3.874 3.960 0.000 0.000 0.218 378 G HA3 -0.086 3.874 3.960 0.000 0.000 0.218 378 G C 1.728 176.619 174.900 -0.015 0.000 1.154 378 G CA 1.014 46.098 45.100 -0.026 0.000 0.767 378 G HN 0.570 nan 8.290 nan 0.000 0.552 379 G N 0.770 109.532 108.800 -0.064 0.000 2.418 379 G HA2 -0.130 3.830 3.960 0.000 0.000 0.217 379 G HA3 -0.130 3.830 3.960 0.000 0.000 0.217 379 G C 1.801 176.646 174.900 -0.091 0.000 1.158 379 G CA 0.704 45.766 45.100 -0.064 0.000 0.771 379 G HN 0.423 nan 8.290 nan 0.000 0.545 380 L N -1.233 119.897 121.223 -0.155 0.000 2.141 380 L HA 0.161 4.501 4.340 0.000 0.000 0.209 380 L C 1.126 177.659 176.870 -0.560 0.000 1.094 380 L CA 0.586 55.207 54.840 -0.364 0.000 0.763 380 L CB -0.017 41.781 42.059 -0.435 0.000 0.908 380 L HN 0.141 nan 8.230 nan 0.000 0.437 381 F N -1.888 118.060 119.950 -0.004 0.000 2.835 381 F HA 0.204 4.731 4.527 0.000 0.000 0.342 381 F C 1.749 177.545 175.800 -0.006 0.000 1.202 381 F CA -0.287 57.702 58.000 -0.019 0.000 1.240 381 F CB -0.091 38.870 39.000 -0.064 0.000 1.005 381 F HN -0.196 nan 8.300 nan 0.000 0.507 382 S N 0.183 115.947 115.700 0.107 0.000 2.402 382 S HA -0.215 4.255 4.470 0.000 0.000 0.233 382 S C 1.641 176.293 174.600 0.087 0.000 1.030 382 S CA 1.897 60.145 58.200 0.079 0.000 1.003 382 S CB -0.233 62.997 63.200 0.051 0.000 0.813 382 S HN 0.612 nan 8.310 nan 0.000 0.477 383 D N -0.172 120.292 120.400 0.108 0.000 2.358 383 D HA 0.236 4.877 4.640 0.000 0.000 0.224 383 D C 1.143 177.512 176.300 0.115 0.000 1.123 383 D CA 0.565 54.624 54.000 0.099 0.000 0.833 383 D CB -0.518 40.342 40.800 0.099 0.000 0.946 383 D HN 0.362 nan 8.370 nan 0.000 0.505 384 G N -0.157 108.721 108.800 0.131 0.000 2.184 384 G HA2 -0.217 3.743 3.960 0.000 0.000 0.264 384 G HA3 -0.217 3.743 3.960 0.000 0.000 0.264 384 G C 1.185 176.155 174.900 0.117 0.000 0.975 384 G CA 0.442 45.599 45.100 0.095 0.000 0.642 384 G HN 1.439 nan 8.290 nan 0.000 0.536 385 G N -1.212 107.735 108.800 0.245 0.000 2.157 385 G HA2 -0.270 3.690 3.960 0.000 0.000 0.239 385 G HA3 -0.270 3.690 3.960 0.000 0.000 0.239 385 G C 1.199 176.263 174.900 0.272 0.000 0.982 385 G CA 1.144 46.448 45.100 0.339 0.000 0.650 385 G HN 0.766 nan 8.290 nan 0.000 0.527 386 R N 0.786 121.394 120.500 0.181 0.000 2.091 386 R HA -0.050 4.290 4.340 0.000 0.000 0.238 386 R C 2.614 179.008 176.300 0.157 0.000 1.136 386 R CA 1.847 58.031 56.100 0.140 0.000 0.959 386 R CB -0.699 29.661 30.300 0.100 0.000 0.856 386 R HN 0.460 nan 8.270 nan 0.000 0.437 387 S N 0.802 116.606 115.700 0.174 0.000 2.355 387 S HA -0.122 4.348 4.470 0.000 0.000 0.222 387 S C 1.580 176.292 174.600 0.186 0.000 1.031 387 S CA 1.007 59.298 58.200 0.152 0.000 0.993 387 S CB -0.372 62.901 63.200 0.122 0.000 0.859 387 S HN 0.277 nan 8.310 nan 0.000 0.453 388 F N 2.492 122.511 119.950 0.115 0.000 2.095 388 F HA -0.078 4.449 4.527 0.000 0.000 0.298 388 F C 1.747 177.709 175.800 0.270 0.000 1.104 388 F CA 1.259 59.373 58.000 0.190 0.000 1.232 388 F CB -0.468 38.693 39.000 0.267 0.000 0.987 388 F HN 0.094 nan 8.300 nan 0.000 0.475 389 L N -0.037 121.297 121.223 0.186 0.000 2.275 389 L HA -0.192 4.148 4.340 0.000 0.000 0.215 389 L C 2.449 179.373 176.870 0.090 0.000 1.119 389 L CA 0.533 55.436 54.840 0.105 0.000 0.790 389 L CB -0.710 41.407 42.059 0.096 0.000 0.919 389 L HN 0.186 nan 8.230 nan 0.000 0.443 390 Q N 0.101 119.940 119.800 0.065 0.000 2.181 390 Q HA -0.185 4.155 4.340 0.000 0.000 0.205 390 Q C 1.851 177.842 176.000 -0.016 0.000 0.980 390 Q CA 1.191 57.017 55.803 0.038 0.000 0.862 390 Q CB -0.484 28.288 28.738 0.058 0.000 0.905 390 Q HN 0.608 nan 8.270 nan 0.000 0.429 391 N N -0.256 118.390 118.700 -0.091 0.000 2.289 391 N HA -0.112 4.628 4.740 0.000 0.000 0.184 391 N C 1.081 176.347 175.510 -0.406 0.000 1.016 391 N CA 0.913 53.791 53.050 -0.286 0.000 0.872 391 N CB -0.126 38.057 38.487 -0.506 0.000 0.973 391 N HN 0.258 nan 8.380 nan 0.000 0.433 392 F N 0.891 120.733 119.950 -0.181 0.000 2.695 392 F HA 0.227 4.754 4.527 0.000 0.000 0.303 392 F C 0.727 176.461 175.800 -0.110 0.000 1.091 392 F CA -0.261 57.649 58.000 -0.151 0.000 1.300 392 F CB 0.348 39.241 39.000 -0.179 0.000 1.071 392 F HN -0.349 nan 8.300 nan 0.000 0.578 393 K N 0.551 120.974 120.400 0.038 0.000 2.447 393 K HA 0.246 4.566 4.320 0.000 0.000 0.281 393 K C 1.242 177.817 176.600 -0.041 0.000 1.031 393 K CA 0.806 57.094 56.287 0.003 0.000 1.019 393 K CB 0.186 32.684 32.500 -0.003 0.000 0.918 393 K HN 0.342 nan 8.250 nan 0.000 0.476 394 G N 2.334 111.098 108.800 -0.059 0.000 2.175 394 G HA2 -0.260 3.700 3.960 0.000 0.000 0.265 394 G HA3 -0.260 3.700 3.960 0.000 0.000 0.265 394 G C -0.123 174.668 174.900 -0.181 0.000 0.979 394 G CA 0.407 45.440 45.100 -0.112 0.000 0.663 394 G HN 0.660 nan 8.290 nan 0.000 0.533 395 D N -0.720 119.599 120.400 -0.135 0.000 2.272 395 D HA 0.612 5.252 4.640 0.000 0.000 0.247 395 D C 0.726 176.927 176.300 -0.163 0.000 0.990 395 D CA -0.843 53.063 54.000 -0.156 0.000 0.931 395 D CB 0.571 41.338 40.800 -0.055 0.000 1.195 395 D HN -0.013 nan 8.370 nan 0.000 0.477 396 F N 0.194 120.166 119.950 0.037 0.000 2.545 396 F HA 0.152 4.679 4.527 0.000 0.000 0.348 396 F C 0.826 176.693 175.800 0.112 0.000 1.163 396 F CA -0.248 57.782 58.000 0.049 0.000 1.331 396 F CB 0.551 39.565 39.000 0.023 0.000 1.138 396 F HN -0.091 nan 8.300 nan 0.000 0.602 397 V N 2.417 122.508 119.914 0.295 0.000 2.334 397 V HA 0.080 4.200 4.120 0.000 0.000 0.281 397 V C -0.051 176.143 176.094 0.166 0.000 1.016 397 V CA -0.983 61.450 62.300 0.222 0.000 0.832 397 V CB 1.131 32.998 31.823 0.073 0.000 0.999 397 V HN 0.667 nan 8.190 nan 0.000 0.439 398 D N 6.758 127.261 120.400 0.172 0.000 2.488 398 D HA 0.055 4.695 4.640 0.000 0.000 0.238 398 D C -1.514 174.819 176.300 0.055 0.000 1.138 398 D CA -1.056 53.003 54.000 0.099 0.000 0.873 398 D CB 2.108 42.973 40.800 0.108 0.000 1.183 398 D HN 0.247 nan 8.370 nan 0.000 0.458 399 P HA -0.121 nan 4.420 nan 0.000 0.220 399 P C 1.495 178.790 177.300 -0.009 0.000 1.144 399 P CA 0.759 63.861 63.100 0.002 0.000 0.800 399 P CB -0.140 31.554 31.700 -0.010 0.000 0.772 400 C N -2.608 116.691 119.300 -0.001 0.000 2.491 400 C HA 0.089 4.549 4.460 0.000 0.000 0.277 400 C C 2.153 177.125 174.990 -0.031 0.000 1.455 400 C CA -0.072 58.930 59.018 -0.026 0.000 1.758 400 C CB -2.117 25.613 27.740 -0.018 0.000 1.745 400 C HN 0.102 nan 8.230 nan 0.000 0.558 401 L N 1.234 122.458 121.223 0.002 0.000 2.558 401 L HA 0.300 4.640 4.340 0.000 0.000 0.225 401 L C 2.079 178.922 176.870 -0.044 0.000 1.128 401 L CA 0.610 55.449 54.840 -0.001 0.000 0.868 401 L CB -1.041 41.040 42.059 0.037 0.000 1.006 401 L HN 0.689 nan 8.230 nan 0.000 0.454 402 G N 1.073 109.846 108.800 -0.045 0.000 2.596 402 G HA2 -0.348 3.612 3.960 0.000 0.000 0.295 402 G HA3 -0.348 3.612 3.960 0.000 0.000 0.295 402 G C 0.201 175.071 174.900 -0.051 0.000 1.240 402 G CA 0.393 45.464 45.100 -0.048 0.000 0.985 402 G HN 0.319 nan 8.290 nan 0.000 0.555 403 D N 0.683 121.053 120.400 -0.050 0.000 2.336 403 D HA 0.208 4.848 4.640 0.000 0.000 0.228 403 D C 2.210 178.458 176.300 -0.087 0.000 1.120 403 D CA 0.090 54.054 54.000 -0.059 0.000 0.839 403 D CB 0.451 41.227 40.800 -0.041 0.000 0.932 403 D HN 0.283 nan 8.370 nan 0.000 0.509 404 L N 0.697 121.858 121.223 -0.104 0.000 2.042 404 L HA -0.176 4.164 4.340 0.000 0.000 0.210 404 L C 1.722 178.492 176.870 -0.168 0.000 1.076 404 L CA 1.578 56.331 54.840 -0.146 0.000 0.749 404 L CB -0.256 41.718 42.059 -0.142 0.000 0.893 404 L HN -0.069 nan 8.230 nan 0.000 0.432 405 I N -0.653 119.801 120.570 -0.194 0.000 2.202 405 I HA -0.253 3.917 4.170 0.000 0.000 0.242 405 I C 2.578 178.598 176.117 -0.162 0.000 1.091 405 I CA 1.425 62.577 61.300 -0.247 0.000 1.368 405 I CB -1.416 36.344 38.000 -0.400 0.000 1.058 405 I HN 0.368 nan 8.210 nan 0.000 0.410 406 L N 0.544 121.690 121.223 -0.129 0.000 2.042 406 L HA -0.222 4.118 4.340 0.000 0.000 0.210 406 L C 2.550 179.366 176.870 -0.089 0.000 1.076 406 L CA 1.638 56.421 54.840 -0.096 0.000 0.749 406 L CB -0.141 41.874 42.059 -0.074 0.000 0.893 406 L HN 0.075 nan 8.230 nan 0.000 0.432 407 I N -0.274 120.238 120.570 -0.096 0.000 2.179 407 I HA -0.340 3.830 4.170 0.000 0.000 0.242 407 I C 2.417 178.464 176.117 -0.117 0.000 1.088 407 I CA 1.332 62.576 61.300 -0.093 0.000 1.357 407 I CB -0.246 37.692 38.000 -0.103 0.000 1.051 407 I HN 0.275 nan 8.210 nan 0.000 0.409 408 L N 0.138 121.269 121.223 -0.154 0.000 2.187 408 L HA -0.207 4.133 4.340 0.000 0.000 0.213 408 L C 2.534 179.356 176.870 -0.080 0.000 1.100 408 L CA 1.280 56.033 54.840 -0.145 0.000 0.765 408 L CB -0.489 41.495 42.059 -0.125 0.000 0.904 408 L HN 0.198 nan 8.230 nan 0.000 0.437 409 R N -0.483 119.970 120.500 -0.079 0.000 2.236 409 R HA 0.080 4.421 4.340 0.000 0.000 0.208 409 R C 0.516 176.767 176.300 -0.081 0.000 1.036 409 R CA -0.011 56.050 56.100 -0.065 0.000 1.001 409 R CB -0.063 30.195 30.300 -0.071 0.000 0.896 409 R HN 0.258 nan 8.270 nan 0.000 0.464 410 L N 2.730 123.899 121.223 -0.089 0.000 2.485 410 L HA 0.082 4.422 4.340 0.000 0.000 0.275 410 L C -1.975 174.816 176.870 -0.132 0.000 1.207 410 L CA -1.824 52.947 54.840 -0.115 0.000 0.855 410 L CB -0.091 41.971 42.059 0.006 0.000 1.114 410 L HN -0.159 nan 8.230 nan 0.000 0.485 411 P HA -0.020 nan 4.420 nan 0.000 0.269 411 P C 0.489 177.641 177.300 -0.247 0.000 1.215 411 P CA -0.065 62.902 63.100 -0.222 0.000 0.780 411 P CB 0.805 32.312 31.700 -0.322 0.000 0.898 412 S N 2.288 117.944 115.700 -0.073 0.000 2.370 412 S HA -0.136 4.334 4.470 0.000 0.000 0.226 412 S C 1.507 176.107 174.600 0.001 0.000 1.033 412 S CA 1.312 59.504 58.200 -0.013 0.000 1.011 412 S CB -0.765 62.473 63.200 0.062 0.000 0.852 412 S HN 0.679 nan 8.310 nan 0.000 0.457 413 W N -0.125 121.223 121.300 0.079 0.000 2.402 413 W HA -0.072 4.588 4.660 0.000 0.000 0.286 413 W C 1.796 178.371 176.519 0.094 0.000 1.221 413 W CA 0.437 57.825 57.345 0.072 0.000 1.257 413 W CB -1.161 28.342 29.460 0.073 0.000 1.120 413 W HN 0.397 nan 8.180 nan 0.000 0.551 414 F N 2.585 121.991 119.950 -0.906 0.000 2.187 414 F HA 0.062 4.589 4.527 0.000 0.000 0.295 414 F C 2.476 178.053 175.800 -0.373 0.000 1.091 414 F CA 1.704 59.158 58.000 -0.911 0.000 1.308 414 F CB -0.376 37.794 39.000 -1.384 0.000 1.030 414 F HN -0.318 nan 8.300 nan 0.000 0.487 415 K N 0.040 120.285 120.400 -0.258 0.000 2.103 415 K HA -0.240 4.080 4.320 0.000 0.000 0.207 415 K C 2.312 178.795 176.600 -0.196 0.000 1.048 415 K CA 1.663 57.824 56.287 -0.210 0.000 0.930 415 K CB -0.265 32.170 32.500 -0.109 0.000 0.716 415 K HN 0.238 nan 8.250 nan 0.000 0.444 416 R N 0.993 121.421 120.500 -0.120 0.000 2.062 416 R HA -0.142 4.198 4.340 0.000 0.000 0.231 416 R C 2.355 178.606 176.300 -0.083 0.000 1.136 416 R CA 1.215 57.283 56.100 -0.054 0.000 0.948 416 R CB -0.333 29.987 30.300 0.034 0.000 0.845 416 R HN 0.108 nan 8.270 nan 0.000 0.430 417 L N 1.149 122.316 121.223 -0.093 0.000 1.989 417 L HA -0.164 4.176 4.340 0.000 0.000 0.211 417 L C 2.169 178.909 176.870 -0.217 0.000 1.071 417 L CA 1.635 56.415 54.840 -0.099 0.000 0.749 417 L CB -0.829 41.220 42.059 -0.016 0.000 0.890 417 L HN 0.324 nan 8.230 nan 0.000 0.431 418 L N -0.819 120.139 121.223 -0.441 0.000 2.042 418 L HA -0.200 4.140 4.340 0.000 0.000 0.210 418 L C 2.739 179.484 176.870 -0.210 0.000 1.076 418 L CA 2.163 56.759 54.840 -0.408 0.000 0.749 418 L CB -1.134 40.552 42.059 -0.621 0.000 0.893 418 L HN 0.542 nan 8.230 nan 0.000 0.432 419 S N -1.129 114.467 115.700 -0.175 0.000 2.370 419 S HA -0.175 4.295 4.470 0.000 0.000 0.226 419 S C 2.016 176.578 174.600 -0.064 0.000 1.033 419 S CA 1.492 59.636 58.200 -0.094 0.000 1.011 419 S CB -0.342 62.817 63.200 -0.069 0.000 0.852 419 S HN 0.363 nan 8.310 nan 0.000 0.457 420 L N 1.068 122.252 121.223 -0.065 0.000 2.046 420 L HA 0.043 4.383 4.340 0.000 0.000 0.208 420 L C 2.253 179.098 176.870 -0.043 0.000 1.077 420 L CA 1.345 56.160 54.840 -0.041 0.000 0.747 420 L CB -1.218 40.824 42.059 -0.029 0.000 0.896 420 L HN 0.322 nan 8.230 nan 0.000 0.432 421 L N -1.359 119.830 121.223 -0.057 0.000 2.083 421 L HA -0.181 4.159 4.340 0.000 0.000 0.209 421 L C 2.359 179.208 176.870 -0.034 0.000 1.083 421 L CA 1.534 56.347 54.840 -0.045 0.000 0.752 421 L CB -0.834 41.193 42.059 -0.053 0.000 0.899 421 L HN 0.185 nan 8.230 nan 0.000 0.433 422 L N -1.245 119.961 121.223 -0.028 0.000 2.240 422 L HA -0.134 4.206 4.340 0.000 0.000 0.211 422 L C 2.488 179.357 176.870 -0.003 0.000 1.106 422 L CA 0.520 55.372 54.840 0.019 0.000 0.793 422 L CB -0.400 41.675 42.059 0.026 0.000 0.927 422 L HN 0.256 nan 8.230 nan 0.000 0.446 423 K N 0.680 121.068 120.400 -0.020 0.000 2.059 423 K HA -0.217 4.103 4.320 0.000 0.000 0.212 423 K C -0.481 176.094 176.600 -0.042 0.000 1.050 423 K CA 1.884 58.160 56.287 -0.018 0.000 0.927 423 K CB -0.718 31.773 32.500 -0.015 0.000 0.714 423 K HN 0.204 nan 8.250 nan 0.000 0.447 424 P HA -0.130 nan 4.420 nan 0.000 0.215 424 P C 1.146 178.342 177.300 -0.175 0.000 1.157 424 P CA 0.976 64.018 63.100 -0.097 0.000 0.863 424 P CB 0.125 31.770 31.700 -0.093 0.000 0.787 425 L N -2.528 118.517 121.223 -0.296 0.000 2.102 425 L HA 0.103 4.444 4.340 0.000 0.000 0.202 425 L C 0.821 177.241 176.870 -0.750 0.000 1.076 425 L CA 1.509 55.960 54.840 -0.648 0.000 0.761 425 L CB -0.824 40.634 42.059 -1.001 0.000 0.921 425 L HN -0.162 nan 8.230 nan 0.000 0.444 426 F N -0.013 119.902 119.950 -0.059 0.000 2.550 426 F HA 0.373 4.900 4.527 0.000 0.000 0.348 426 F C -1.582 174.154 175.800 -0.106 0.000 1.219 426 F CA -2.351 55.592 58.000 -0.095 0.000 1.203 426 F CB 0.135 39.030 39.000 -0.176 0.000 1.436 426 F HN -0.057 nan 8.300 nan 0.000 0.541 427 P HA -0.209 nan 4.420 nan 0.000 0.218 427 P C 1.853 179.166 177.300 0.022 0.000 1.148 427 P CA 1.313 64.450 63.100 0.062 0.000 0.822 427 P CB 0.356 32.128 31.700 0.120 0.000 0.784 428 R N 0.205 120.642 120.500 -0.105 0.000 2.073 428 R HA -0.067 4.273 4.340 0.000 0.000 0.234 428 R C 2.538 178.750 176.300 -0.147 0.000 1.134 428 R CA 1.295 57.265 56.100 -0.216 0.000 0.952 428 R CB -0.912 28.923 30.300 -0.775 0.000 0.850 428 R HN 0.105 nan 8.270 nan 0.000 0.433 429 L N 0.212 121.208 121.223 -0.378 0.000 2.046 429 L HA -0.126 4.214 4.340 0.000 0.000 0.208 429 L C 2.737 179.543 176.870 -0.106 0.000 1.077 429 L CA 1.347 55.926 54.840 -0.436 0.000 0.747 429 L CB -0.709 41.049 42.059 -0.502 0.000 0.896 429 L HN 0.372 nan 8.230 nan 0.000 0.432 430 A N 0.143 122.936 122.820 -0.045 0.000 1.902 430 A HA -0.152 4.168 4.320 0.000 0.000 0.217 430 A C 2.529 180.137 177.584 0.040 0.000 1.181 430 A CA 1.783 53.817 52.037 -0.006 0.000 0.623 430 A CB -0.627 18.373 19.000 0.000 0.000 0.818 430 A HN 0.409 nan 8.150 nan 0.000 0.443 431 A N -1.475 121.396 122.820 0.086 0.000 1.930 431 A HA 0.058 4.378 4.320 0.000 0.000 0.217 431 A C 2.002 179.650 177.584 0.108 0.000 1.175 431 A CA 1.275 53.368 52.037 0.093 0.000 0.627 431 A CB -0.678 18.391 19.000 0.115 0.000 0.815 431 A HN 0.471 nan 8.150 nan 0.000 0.443 432 F N -0.820 119.153 119.950 0.039 0.000 2.113 432 F HA -0.139 4.388 4.527 0.000 0.000 0.297 432 F C 2.113 177.913 175.800 -0.000 0.000 1.103 432 F CA 1.351 59.394 58.000 0.071 0.000 1.248 432 F CB -0.213 38.912 39.000 0.209 0.000 0.999 432 F HN 0.258 nan 8.300 nan 0.000 0.475 433 L N 0.745 122.065 121.223 0.161 0.000 2.012 433 L HA -0.271 4.069 4.340 0.000 0.000 0.210 433 L C 1.996 178.859 176.870 -0.012 0.000 1.073 433 L CA 1.871 56.728 54.840 0.028 0.000 0.748 433 L CB -1.152 40.891 42.059 -0.026 0.000 0.891 433 L HN 0.062 nan 8.230 nan 0.000 0.431 434 N N -0.352 118.345 118.700 -0.005 0.000 2.289 434 N HA -0.176 4.564 4.740 0.000 0.000 0.184 434 N C 1.351 176.852 175.510 -0.014 0.000 1.016 434 N CA 1.250 54.291 53.050 -0.015 0.000 0.872 434 N CB -0.227 38.256 38.487 -0.007 0.000 0.973 434 N HN 0.439 nan 8.380 nan 0.000 0.433 435 N N -0.412 118.275 118.700 -0.021 0.000 2.336 435 N HA 0.075 4.815 4.740 0.000 0.000 0.189 435 N C 0.199 175.707 175.510 -0.002 0.000 1.113 435 N CA 0.213 53.245 53.050 -0.030 0.000 0.858 435 N CB 0.201 38.634 38.487 -0.090 0.000 0.970 435 N HN 0.416 nan 8.380 nan 0.000 0.471 436 M N 0.177 119.763 119.600 -0.022 0.000 2.475 436 M HA 0.157 4.637 4.480 0.000 0.000 0.261 436 M C 0.040 176.321 176.300 -0.032 0.000 1.177 436 M CA 0.020 55.285 55.300 -0.058 0.000 0.979 436 M CB 0.494 32.945 32.600 -0.248 0.000 1.482 436 M HN -0.184 nan 8.290 nan 0.000 0.484 437 R N 1.547 122.047 120.500 -0.001 0.000 2.500 437 R HA 0.379 4.719 4.340 0.000 0.000 0.275 437 R C -2.301 174.022 176.300 0.037 0.000 1.051 437 R CA -1.591 54.514 56.100 0.009 0.000 1.088 437 R CB 0.326 30.630 30.300 0.007 0.000 1.063 437 R HN -0.055 nan 8.270 nan 0.000 0.511 438 P HA 0.105 nan 4.420 nan 0.000 0.274 438 P C -1.105 176.219 177.300 0.040 0.000 1.246 438 P CA -0.107 63.023 63.100 0.050 0.000 0.795 438 P CB 0.862 32.592 31.700 0.050 0.000 1.006 439 R N -0.896 119.624 120.500 0.034 0.000 2.747 439 R HA 0.534 4.874 4.340 0.000 0.000 0.272 439 R C -0.622 175.679 176.300 0.002 0.000 1.032 439 R CA -0.813 55.299 56.100 0.020 0.000 0.896 439 R CB 0.303 30.616 30.300 0.022 0.000 1.253 439 R HN 0.484 nan 8.270 nan 0.000 0.461 440 S N -0.097 115.592 115.700 -0.019 0.000 2.624 440 S HA 0.358 4.828 4.470 0.000 0.000 0.263 440 S C 1.357 175.898 174.600 -0.098 0.000 1.287 440 S CA -0.179 57.986 58.200 -0.057 0.000 0.990 440 S CB 1.353 64.510 63.200 -0.071 0.000 0.950 440 S HN 0.823 nan 8.310 nan 0.000 0.561 441 A N 0.375 123.093 122.820 -0.171 0.000 1.933 441 A HA -0.115 4.205 4.320 0.000 0.000 0.218 441 A C 2.137 179.443 177.584 -0.464 0.000 1.175 441 A CA 1.755 53.615 52.037 -0.295 0.000 0.628 441 A CB -1.288 17.483 19.000 -0.381 0.000 0.814 441 A HN 1.029 nan 8.150 nan 0.000 0.444 442 E N -0.025 119.925 120.200 -0.417 0.000 2.085 442 E HA -0.250 4.100 4.350 0.000 0.000 0.194 442 E C 1.910 178.459 176.600 -0.085 0.000 0.994 442 E CA 1.666 57.865 56.400 -0.336 0.000 0.801 442 E CB -0.122 29.457 29.700 -0.202 0.000 0.743 442 E HN 0.631 nan 8.360 nan 0.000 0.453 443 K N -0.083 120.289 120.400 -0.048 0.000 2.167 443 K HA -0.096 4.224 4.320 0.000 0.000 0.203 443 K C 2.126 178.768 176.600 0.069 0.000 1.052 443 K CA 0.526 56.829 56.287 0.028 0.000 0.956 443 K CB -0.072 32.439 32.500 0.018 0.000 0.735 443 K HN 0.127 nan 8.250 nan 0.000 0.451 444 L N 0.408 121.661 121.223 0.050 0.000 2.017 444 L HA -0.155 4.185 4.340 0.000 0.000 0.208 444 L C 1.655 178.678 176.870 0.255 0.000 1.073 444 L CA 1.747 56.656 54.840 0.114 0.000 0.745 444 L CB -0.646 41.468 42.059 0.092 0.000 0.894 444 L HN 0.241 nan 8.230 nan 0.000 0.432 445 W N 0.364 121.686 121.300 0.037 0.000 2.318 445 W HA -0.237 4.423 4.660 0.000 0.000 0.313 445 W C 2.797 179.357 176.519 0.069 0.000 1.221 445 W CA 1.697 59.068 57.345 0.043 0.000 1.266 445 W CB -1.180 28.297 29.460 0.027 0.000 1.150 445 W HN 0.190 nan 8.180 nan 0.000 0.496 446 K N 0.467 121.055 120.400 0.313 0.000 2.057 446 K HA -0.184 4.136 4.320 0.000 0.000 0.207 446 K C 2.000 178.717 176.600 0.195 0.000 1.049 446 K CA 1.455 57.880 56.287 0.230 0.000 0.931 446 K CB -1.121 31.479 32.500 0.167 0.000 0.714 446 K HN 0.059 nan 8.250 nan 0.000 0.440 447 L N 0.990 122.302 121.223 0.149 0.000 2.046 447 L HA -0.136 4.204 4.340 0.000 0.000 0.208 447 L C 2.361 179.283 176.870 0.085 0.000 1.077 447 L CA 2.016 56.910 54.840 0.089 0.000 0.747 447 L CB -0.951 41.140 42.059 0.054 0.000 0.896 447 L HN 0.395 nan 8.230 nan 0.000 0.432 448 Q N -1.044 118.831 119.800 0.126 0.000 2.096 448 Q HA -0.287 4.054 4.340 0.000 0.000 0.204 448 Q C 2.341 178.413 176.000 0.120 0.000 0.982 448 Q CA 2.178 58.043 55.803 0.103 0.000 0.850 448 Q CB -0.633 28.173 28.738 0.113 0.000 0.901 448 Q HN 0.740 nan 8.270 nan 0.000 0.422 449 H N -0.324 118.779 119.070 0.055 0.000 2.353 449 H HA -0.083 4.474 4.556 0.000 0.000 0.300 449 H C 1.549 176.918 175.328 0.068 0.000 1.090 449 H CA 1.567 57.644 56.048 0.048 0.000 1.327 449 H CB 0.348 30.141 29.762 0.052 0.000 1.383 449 H HN 0.466 nan 8.280 nan 0.000 0.508 450 E N 0.342 120.551 120.200 0.015 0.000 2.077 450 E HA -0.142 4.208 4.350 0.000 0.000 0.193 450 E C 2.435 179.037 176.600 0.003 0.000 0.989 450 E CA 1.025 57.425 56.400 0.001 0.000 0.800 450 E CB 0.099 29.857 29.700 0.096 0.000 0.746 450 E HN 0.519 nan 8.360 nan 0.000 0.452 451 I N 1.217 121.778 120.570 -0.015 0.000 2.179 451 I HA -0.278 3.892 4.170 0.000 0.000 0.242 451 I C 2.713 178.850 176.117 0.034 0.000 1.088 451 I CA 1.165 62.460 61.300 -0.008 0.000 1.357 451 I CB -0.223 37.760 38.000 -0.029 0.000 1.051 451 I HN 0.162 nan 8.210 nan 0.000 0.409 452 E N 0.892 121.097 120.200 0.009 0.000 2.051 452 E HA -0.254 4.096 4.350 0.000 0.000 0.192 452 E C 2.320 178.908 176.600 -0.020 0.000 0.991 452 E CA 1.411 57.814 56.400 0.006 0.000 0.799 452 E CB 0.076 29.794 29.700 0.029 0.000 0.748 452 E HN 0.295 nan 8.360 nan 0.000 0.449 453 M N -0.212 119.331 119.600 -0.095 0.000 2.175 453 M HA -0.141 4.339 4.480 0.000 0.000 0.264 453 M C 2.193 178.519 176.300 0.043 0.000 1.063 453 M CA 1.177 56.435 55.300 -0.070 0.000 1.119 453 M CB -1.214 31.283 32.600 -0.172 0.000 1.377 453 M HN 0.257 nan 8.290 nan 0.000 0.415 454 Y N 0.863 121.151 120.300 -0.021 0.000 2.224 454 Y HA -0.217 4.333 4.550 0.000 0.000 0.289 454 Y C 2.742 178.641 175.900 -0.001 0.000 1.146 454 Y CA 1.694 59.802 58.100 0.013 0.000 1.182 454 Y CB -0.116 38.333 38.460 -0.018 0.000 0.983 454 Y HN 0.121 nan 8.280 nan 0.000 0.524 455 R N -0.175 120.284 120.500 -0.069 0.000 2.081 455 R HA -0.180 4.160 4.340 0.000 0.000 0.235 455 R C 2.200 178.475 176.300 -0.042 0.000 1.131 455 R CA 1.678 57.725 56.100 -0.088 0.000 0.960 455 R CB -0.066 30.251 30.300 0.028 0.000 0.856 455 R HN 0.391 nan 8.270 nan 0.000 0.436 456 Q N -0.343 119.443 119.800 -0.022 0.000 2.123 456 Q HA -0.101 4.240 4.340 0.000 0.000 0.199 456 Q C 2.063 178.058 176.000 -0.009 0.000 0.966 456 Q CA 1.446 57.248 55.803 -0.001 0.000 0.845 456 Q CB -0.264 28.479 28.738 0.007 0.000 0.907 456 Q HN 0.237 nan 8.270 nan 0.000 0.439 457 S N 0.110 115.780 115.700 -0.049 0.000 2.359 457 S HA -0.115 4.355 4.470 0.000 0.000 0.224 457 S C 2.036 176.608 174.600 -0.047 0.000 1.035 457 S CA 1.459 59.632 58.200 -0.044 0.000 1.018 457 S CB -0.081 63.093 63.200 -0.044 0.000 0.876 457 S HN 0.180 nan 8.310 nan 0.000 0.448 458 V N 1.750 121.565 119.914 -0.165 0.000 2.453 458 V HA -0.059 4.061 4.120 0.000 0.000 0.247 458 V C 2.297 178.539 176.094 0.248 0.000 1.048 458 V CA 1.634 63.926 62.300 -0.013 0.000 1.049 458 V CB -0.664 31.026 31.823 -0.223 0.000 0.672 458 V HN 0.492 nan 8.190 nan 0.000 0.457 459 I N 0.750 121.424 120.570 0.174 0.000 2.208 459 I HA -0.271 3.900 4.170 0.000 0.000 0.245 459 I C 2.628 178.839 176.117 0.157 0.000 1.097 459 I CA 1.655 63.026 61.300 0.118 0.000 1.363 459 I CB -0.510 37.488 38.000 -0.003 0.000 1.051 459 I HN 0.289 nan 8.210 nan 0.000 0.413 460 A N -0.320 122.576 122.820 0.128 0.000 1.930 460 A HA -0.250 4.070 4.320 0.000 0.000 0.217 460 A C 2.321 180.023 177.584 0.197 0.000 1.175 460 A CA 1.503 53.616 52.037 0.127 0.000 0.627 460 A CB -0.611 18.436 19.000 0.079 0.000 0.815 460 A HN 0.486 nan 8.150 nan 0.000 0.443 461 Q N -1.372 118.574 119.800 0.244 0.000 2.084 461 Q HA -0.201 4.139 4.340 0.000 0.000 0.202 461 Q C 2.010 178.323 176.000 0.522 0.000 0.978 461 Q CA 1.650 57.642 55.803 0.315 0.000 0.844 461 Q CB -0.269 28.625 28.738 0.260 0.000 0.898 461 Q HN 0.876 nan 8.270 nan 0.000 0.426 462 W N 1.738 123.229 121.300 0.318 0.000 2.355 462 W HA -0.186 4.474 4.660 0.000 0.000 0.309 462 W C 1.388 177.907 176.519 0.000 0.000 1.206 462 W CA 1.517 58.901 57.345 0.063 0.000 1.284 462 W CB -0.147 29.340 29.460 0.044 0.000 1.145 462 W HN 0.101 nan 8.180 nan 0.000 0.502 463 K N 0.221 120.871 120.400 0.418 0.000 2.211 463 K HA -0.071 4.249 4.320 0.000 0.000 0.203 463 K C 2.168 178.860 176.600 0.152 0.000 1.050 463 K CA 1.260 57.699 56.287 0.253 0.000 0.945 463 K CB -0.526 32.073 32.500 0.165 0.000 0.732 463 K HN 0.089 nan 8.250 nan 0.000 0.451 464 A N 1.014 123.931 122.820 0.161 0.000 2.067 464 A HA -0.060 4.260 4.320 0.000 0.000 0.219 464 A C 1.855 179.495 177.584 0.094 0.000 1.158 464 A CA 1.065 53.171 52.037 0.116 0.000 0.661 464 A CB -0.128 18.943 19.000 0.118 0.000 0.801 464 A HN 0.112 nan 8.150 nan 0.000 0.452 465 M N -0.243 119.413 119.600 0.094 0.000 2.428 465 M HA 0.152 4.632 4.480 0.000 0.000 0.239 465 M C -0.069 176.205 176.300 -0.043 0.000 1.121 465 M CA -0.152 55.166 55.300 0.030 0.000 1.019 465 M CB -0.950 31.671 32.600 0.036 0.000 1.485 465 M HN 0.441 nan 8.290 nan 0.000 0.484 466 N N 1.754 120.447 118.700 -0.011 0.000 2.727 466 N HA -0.167 4.573 4.740 0.000 0.000 0.249 466 N C -0.572 174.872 175.510 -0.111 0.000 1.048 466 N CA 0.468 53.509 53.050 -0.016 0.000 0.714 466 N CB -1.617 36.866 38.487 -0.007 0.000 0.959 466 N HN 0.425 nan 8.380 nan 0.000 0.544 467 L N 0.051 121.097 121.223 -0.295 0.000 2.452 467 L HA 0.106 4.446 4.340 0.000 0.000 0.267 467 L C 1.595 178.326 176.870 -0.232 0.000 1.188 467 L CA -0.089 54.426 54.840 -0.541 0.000 0.821 467 L CB 0.430 41.650 42.059 -1.399 0.000 1.102 467 L HN -0.007 nan 8.230 nan 0.000 0.470 468 D N 0.386 120.653 120.400 -0.222 0.000 2.338 468 D HA 0.086 4.726 4.640 0.000 0.000 0.224 468 D C 0.277 176.593 176.300 0.026 0.000 0.967 468 D CA 0.995 54.971 54.000 -0.039 0.000 0.896 468 D CB 0.824 41.563 40.800 -0.101 0.000 1.028 468 D HN 0.350 nan 8.370 nan 0.000 0.493 469 V N -1.748 117.993 119.914 -0.289 0.000 3.202 469 V HA 0.680 4.800 4.120 0.000 0.000 0.306 469 V C -1.751 174.030 176.094 -0.522 0.000 1.283 469 V CA -1.130 61.024 62.300 -0.243 0.000 1.065 469 V CB 2.679 34.216 31.823 -0.476 0.000 1.079 469 V HN -0.084 nan 8.190 nan 0.000 0.448 470 L N 1.742 122.836 121.223 -0.215 0.000 2.438 470 L HA 0.839 5.179 4.340 0.000 0.000 0.270 470 L C -1.323 175.627 176.870 0.134 0.000 0.972 470 L CA -0.580 54.176 54.840 -0.139 0.000 0.831 470 L CB 1.595 43.633 42.059 -0.034 0.000 1.273 470 L HN 0.968 nan 8.230 nan 0.000 0.405 471 L N 4.940 126.248 121.223 0.141 0.000 2.296 471 L HA 0.877 5.217 4.340 0.000 0.000 0.286 471 L C -0.282 176.548 176.870 -0.067 0.000 1.023 471 L CA 0.436 55.377 54.840 0.170 0.000 0.812 471 L CB 1.567 43.784 42.059 0.263 0.000 1.223 471 L HN 0.873 nan 8.230 nan 0.000 0.421 472 T N 2.626 117.080 114.554 -0.167 0.000 2.901 472 T HA 0.772 5.122 4.350 0.000 0.000 0.293 472 T C -2.910 171.645 174.700 -0.241 0.000 1.084 472 T CA -2.165 59.683 62.100 -0.420 0.000 1.008 472 T CB 1.917 70.555 68.868 -0.383 0.000 1.170 472 T HN 0.382 nan 8.240 nan 0.000 0.509 473 P HA 0.419 nan 4.420 nan 0.000 0.270 473 P C -0.948 176.138 177.300 -0.358 0.000 1.223 473 P CA -0.556 62.344 63.100 -0.333 0.000 0.785 473 P CB 0.286 31.675 31.700 -0.518 0.000 0.923 474 M N 2.447 121.889 119.600 -0.264 0.000 2.395 474 M HA 0.404 4.884 4.480 0.000 0.000 0.307 474 M C -1.539 174.714 176.300 -0.078 0.000 1.091 474 M CA -1.513 53.699 55.300 -0.147 0.000 0.919 474 M CB 1.225 33.775 32.600 -0.083 0.000 1.662 474 M HN 0.079 nan 8.290 nan 0.000 0.440 475 L N 4.735 125.995 121.223 0.061 0.000 2.601 475 L HA 0.579 4.919 4.340 0.000 0.000 0.277 475 L C 0.071 177.116 176.870 0.292 0.000 1.219 475 L CA 1.511 56.492 54.840 0.234 0.000 0.915 475 L CB -0.380 41.961 42.059 0.469 0.000 1.160 475 L HN 0.876 nan 8.230 nan 0.000 0.494 476 G N 4.668 113.538 108.800 0.117 0.000 2.368 476 G HA2 0.379 4.339 3.960 0.000 0.000 0.293 476 G HA3 0.379 4.339 3.960 0.000 0.000 0.293 476 G C -3.300 171.534 174.900 -0.111 0.000 1.467 476 G CA -0.586 44.492 45.100 -0.038 0.000 0.804 476 G HN 0.529 nan 8.290 nan 0.000 0.535 477 P HA 0.464 nan 4.420 nan 0.000 0.286 477 P C 0.393 177.344 177.300 -0.581 0.000 1.293 477 P CA 0.180 63.096 63.100 -0.305 0.000 0.770 477 P CB 0.560 32.113 31.700 -0.246 0.000 1.206 478 A N 0.098 122.459 122.820 -0.765 0.000 2.540 478 A HA 0.198 4.518 4.320 0.000 0.000 0.239 478 A C 0.170 177.381 177.584 -0.621 0.000 1.061 478 A CA 0.118 51.447 52.037 -1.180 0.000 0.758 478 A CB -1.019 17.636 19.000 -0.575 0.000 0.991 478 A HN 0.392 nan 8.150 nan 0.000 0.502 479 L N 2.095 123.013 121.223 -0.507 0.000 2.418 479 L HA 0.250 4.590 4.340 0.000 0.000 0.265 479 L C 0.400 177.218 176.870 -0.087 0.000 1.143 479 L CA 0.038 54.777 54.840 -0.167 0.000 0.809 479 L CB 0.434 42.486 42.059 -0.013 0.000 1.124 479 L HN 0.638 nan 8.230 nan 0.000 0.456 480 D N 1.323 121.681 120.400 -0.071 0.000 2.515 480 D HA 0.044 4.684 4.640 0.000 0.000 0.232 480 D C 0.096 176.378 176.300 -0.029 0.000 1.157 480 D CA 0.225 54.199 54.000 -0.043 0.000 0.871 480 D CB 0.324 41.100 40.800 -0.041 0.000 1.200 480 D HN 0.263 nan 8.370 nan 0.000 0.466 481 L N 2.688 123.902 121.223 -0.014 0.000 2.605 481 L HA -0.189 4.152 4.340 0.000 0.000 0.296 481 L C 1.182 178.031 176.870 -0.035 0.000 1.255 481 L CA 0.554 55.386 54.840 -0.013 0.000 0.879 481 L CB -0.244 41.812 42.059 -0.004 0.000 1.124 481 L HN 0.628 nan 8.230 nan 0.000 0.507 482 N N -1.107 117.563 118.700 -0.049 0.000 2.753 482 N HA -0.245 4.495 4.740 0.000 0.000 0.251 482 N C 0.758 176.220 175.510 -0.081 0.000 1.097 482 N CA 0.805 53.819 53.050 -0.062 0.000 0.786 482 N CB -0.910 37.554 38.487 -0.040 0.000 1.137 482 N HN 0.942 nan 8.380 nan 0.000 0.566 483 T N -4.799 109.696 114.554 -0.099 0.000 3.018 483 T HA 0.186 4.536 4.350 0.000 0.000 0.246 483 T C -1.274 173.311 174.700 -0.191 0.000 1.026 483 T CA 0.178 62.214 62.100 -0.107 0.000 1.081 483 T CB -0.317 68.510 68.868 -0.068 0.000 0.970 483 T HN -0.105 nan 8.240 nan 0.000 0.475 484 P HA -0.062 nan 4.420 nan 0.000 0.217 484 P C 1.804 178.766 177.300 -0.564 0.000 1.151 484 P CA 1.702 64.343 63.100 -0.765 0.000 0.849 484 P CB -0.695 30.209 31.700 -1.327 0.000 0.787 485 G N -0.986 107.600 108.800 -0.357 0.000 2.559 485 G HA2 -0.200 3.760 3.960 0.000 0.000 0.216 485 G HA3 -0.200 3.760 3.960 0.000 0.000 0.216 485 G C 1.357 176.157 174.900 -0.168 0.000 1.126 485 G CA 0.229 45.193 45.100 -0.226 0.000 0.778 485 G HN 0.303 nan 8.290 nan 0.000 0.543 486 R N -0.394 120.017 120.500 -0.149 0.000 2.509 486 R HA 0.420 4.760 4.340 0.000 0.000 0.300 486 R C 0.569 176.824 176.300 -0.075 0.000 0.985 486 R CA 0.270 56.336 56.100 -0.057 0.000 1.092 486 R CB 0.871 31.165 30.300 -0.011 0.000 1.237 486 R HN 0.190 nan 8.270 nan 0.000 0.546 487 A N 0.189 122.863 122.820 -0.243 0.000 3.308 487 A HA 0.213 4.533 4.320 0.000 0.000 0.275 487 A C 0.660 177.953 177.584 -0.485 0.000 0.950 487 A CA -0.445 51.430 52.037 -0.270 0.000 0.987 487 A CB 0.232 19.220 19.000 -0.020 0.000 1.146 487 A HN 0.005 nan 8.150 nan 0.000 0.488 488 T N -0.120 113.741 114.554 -1.155 0.000 2.788 488 T HA -0.114 4.236 4.350 0.000 0.000 0.268 488 T C 2.137 176.279 174.700 -0.929 0.000 1.044 488 T CA 2.137 63.605 62.100 -1.053 0.000 1.139 488 T CB -0.109 67.901 68.868 -1.430 0.000 0.867 488 T HN 0.718 nan 8.240 nan 0.000 0.454 489 G N 1.115 109.175 108.800 -1.233 0.000 2.485 489 G HA2 -0.096 3.864 3.960 0.000 0.000 0.221 489 G HA3 -0.096 3.864 3.960 0.000 0.000 0.221 489 G C 1.611 176.553 174.900 0.071 0.000 1.115 489 G CA 0.798 45.743 45.100 -0.258 0.000 0.751 489 G HN 0.606 nan 8.290 nan 0.000 0.567 490 A N 0.508 123.341 122.820 0.023 0.000 2.239 490 A HA 0.211 4.531 4.320 0.000 0.000 0.209 490 A C 2.353 180.021 177.584 0.141 0.000 1.171 490 A CA 1.330 53.464 52.037 0.160 0.000 0.768 490 A CB -0.392 18.723 19.000 0.192 0.000 0.790 490 A HN 0.892 nan 8.150 nan 0.000 0.478 491 V N -1.368 118.584 119.914 0.065 0.000 3.510 491 V HA -0.090 4.030 4.120 0.000 0.000 0.270 491 V C 2.010 178.189 176.094 0.143 0.000 1.201 491 V CA 1.621 64.035 62.300 0.190 0.000 1.166 491 V CB -1.391 30.531 31.823 0.165 0.000 0.825 491 V HN 0.612 nan 8.190 nan 0.000 0.484 492 S N 0.003 115.766 115.700 0.106 0.000 2.382 492 S HA -0.237 4.233 4.470 0.000 0.000 0.228 492 S C 1.820 176.364 174.600 -0.092 0.000 1.027 492 S CA 1.689 59.861 58.200 -0.047 0.000 0.991 492 S CB -0.992 62.178 63.200 -0.050 0.000 0.823 492 S HN 0.620 nan 8.310 nan 0.000 0.469 493 Y N 3.036 123.431 120.300 0.158 0.000 2.242 493 Y HA -0.041 4.510 4.550 0.000 0.000 0.291 493 Y C 3.237 179.230 175.900 0.154 0.000 1.137 493 Y CA 1.404 59.618 58.100 0.191 0.000 1.181 493 Y CB -0.859 37.709 38.460 0.179 0.000 0.989 493 Y HN 0.600 nan 8.280 nan 0.000 0.527 494 T N -3.503 111.130 114.554 0.132 0.000 3.021 494 T HA -0.073 4.277 4.350 0.000 0.000 0.245 494 T C 1.890 176.611 174.700 0.035 0.000 1.028 494 T CA 0.653 62.771 62.100 0.030 0.000 1.139 494 T CB -0.522 68.145 68.868 -0.335 0.000 0.884 494 T HN 0.280 nan 8.240 nan 0.000 0.457 495 M N 0.798 120.395 119.600 -0.005 0.000 2.279 495 M HA 0.103 4.583 4.480 0.000 0.000 0.264 495 M C 2.042 178.265 176.300 -0.127 0.000 1.062 495 M CA 0.987 56.268 55.300 -0.032 0.000 1.099 495 M CB -0.391 32.213 32.600 0.007 0.000 1.394 495 M HN 0.276 nan 8.290 nan 0.000 0.426 496 L N 0.099 121.190 121.223 -0.220 0.000 2.089 496 L HA -0.236 4.104 4.340 0.000 0.000 0.213 496 L C 1.437 177.954 176.870 -0.587 0.000 1.079 496 L CA 2.103 56.675 54.840 -0.445 0.000 0.758 496 L CB -0.851 40.840 42.059 -0.613 0.000 0.891 496 L HN 0.395 nan 8.230 nan 0.000 0.433 497 Y N -1.035 119.232 120.300 -0.055 0.000 2.523 497 Y HA 0.050 4.600 4.550 0.000 0.000 0.279 497 Y C 2.136 177.992 175.900 -0.073 0.000 1.139 497 Y CA 0.760 58.810 58.100 -0.082 0.000 1.296 497 Y CB -0.683 37.783 38.460 0.011 0.000 1.045 497 Y HN 0.348 nan 8.280 nan 0.000 0.538 498 N N -0.914 117.784 118.700 -0.004 0.000 2.171 498 N HA -0.167 4.573 4.740 0.000 0.000 0.184 498 N C 1.894 177.360 175.510 -0.072 0.000 1.021 498 N CA 1.303 54.333 53.050 -0.033 0.000 0.854 498 N CB -0.686 37.774 38.487 -0.045 0.000 0.994 498 N HN 0.294 nan 8.380 nan 0.000 0.426 499 C N 0.720 119.950 119.300 -0.117 0.000 2.393 499 C HA -0.035 4.425 4.460 0.000 0.000 0.276 499 C C 2.263 177.194 174.990 -0.097 0.000 1.215 499 C CA 0.794 59.737 59.018 -0.124 0.000 1.743 499 C CB -1.199 26.437 27.740 -0.174 0.000 2.044 499 C HN 0.436 nan 8.230 nan 0.000 0.464 500 L N 0.029 121.144 121.223 -0.179 0.000 2.395 500 L HA 0.027 4.367 4.340 0.000 0.000 0.218 500 L C 0.908 177.745 176.870 -0.056 0.000 1.130 500 L CA 1.279 55.949 54.840 -0.283 0.000 0.826 500 L CB -0.521 41.014 42.059 -0.873 0.000 0.941 500 L HN 0.396 nan 8.230 nan 0.000 0.451 501 D N 0.185 120.586 120.400 0.002 0.000 2.737 501 D HA -0.257 4.383 4.640 0.000 0.000 0.238 501 D C -0.504 175.944 176.300 0.246 0.000 1.157 501 D CA 0.632 54.670 54.000 0.063 0.000 0.694 501 D CB -1.192 39.599 40.800 -0.013 0.000 1.021 501 D HN 0.160 nan 8.370 nan 0.000 0.420 502 F N 0.102 120.029 119.950 -0.038 0.000 2.450 502 F HA 0.445 4.972 4.527 0.000 0.000 0.332 502 F C -1.408 174.353 175.800 -0.065 0.000 1.093 502 F CA -2.493 55.462 58.000 -0.076 0.000 1.003 502 F CB 1.853 40.877 39.000 0.040 0.000 1.151 502 F HN -0.118 nan 8.300 nan 0.000 0.474 503 P HA 0.125 nan 4.420 nan 0.000 0.267 503 P C -1.312 176.022 177.300 0.056 0.000 1.205 503 P CA 0.084 63.200 63.100 0.025 0.000 0.765 503 P CB 1.109 32.802 31.700 -0.012 0.000 0.828 504 A N 2.882 125.722 122.820 0.033 0.000 2.488 504 A HA 0.775 5.095 4.320 0.000 0.000 0.298 504 A C -0.353 177.223 177.584 -0.014 0.000 1.044 504 A CA -0.444 51.586 52.037 -0.013 0.000 0.693 504 A CB 1.782 20.752 19.000 -0.051 0.000 1.272 504 A HN 0.596 nan 8.150 nan 0.000 0.402 505 G N -0.326 108.457 108.800 -0.027 0.000 2.658 505 G HA2 0.809 4.769 3.960 0.000 0.000 0.292 505 G HA3 0.809 4.769 3.960 0.000 0.000 0.292 505 G C -0.789 174.072 174.900 -0.065 0.000 1.320 505 G CA -0.056 45.023 45.100 -0.034 0.000 0.933 505 G HN 1.985 nan 8.290 nan 0.000 0.476 506 V N -2.007 117.869 119.914 -0.063 0.000 2.735 506 V HA 0.881 5.001 4.120 0.000 0.000 0.310 506 V C -0.834 175.219 176.094 -0.067 0.000 1.061 506 V CA -1.021 61.233 62.300 -0.076 0.000 0.913 506 V CB 1.538 33.318 31.823 -0.071 0.000 1.005 506 V HN 0.647 nan 8.190 nan 0.000 0.428 507 V N 4.425 124.287 119.914 -0.085 0.000 2.577 507 V HA 0.527 4.648 4.120 0.000 0.000 0.303 507 V C -2.572 173.483 176.094 -0.066 0.000 1.042 507 V CA -1.882 60.373 62.300 -0.074 0.000 0.872 507 V CB 2.174 33.930 31.823 -0.112 0.000 0.998 507 V HN 0.892 nan 8.190 nan 0.000 0.423 508 P HA 0.143 nan 4.420 nan 0.000 0.267 508 P C 0.448 177.718 177.300 -0.049 0.000 1.205 508 P CA 0.226 63.299 63.100 -0.045 0.000 0.765 508 P CB 0.927 32.614 31.700 -0.021 0.000 0.828 509 V N -0.049 119.830 119.914 -0.059 0.000 3.485 509 V HA 0.364 4.484 4.120 0.000 0.000 0.280 509 V C 0.402 176.468 176.094 -0.045 0.000 1.495 509 V CA 0.612 62.881 62.300 -0.053 0.000 1.018 509 V CB 0.359 32.144 31.823 -0.064 0.000 0.818 509 V HN 0.584 nan 8.190 nan 0.000 0.436 510 T N 0.593 115.112 114.554 -0.058 0.000 2.693 510 T HA 0.583 4.933 4.350 0.000 0.000 0.304 510 T C -0.922 173.727 174.700 -0.086 0.000 1.471 510 T CA 0.556 62.623 62.100 -0.054 0.000 0.993 510 T CB 1.703 70.544 68.868 -0.045 0.000 1.554 510 T HN 0.819 nan 8.240 nan 0.000 0.496 511 T N -0.660 113.850 114.554 -0.073 0.000 2.924 511 T HA 0.713 5.063 4.350 0.000 0.000 0.291 511 T C -0.378 174.277 174.700 -0.076 0.000 1.045 511 T CA -0.712 61.326 62.100 -0.103 0.000 1.015 511 T CB 1.231 70.055 68.868 -0.073 0.000 1.103 511 T HN 0.490 nan 8.240 nan 0.000 0.496 512 V N 3.527 123.387 119.914 -0.090 0.000 2.529 512 V HA 0.303 4.423 4.120 0.000 0.000 0.292 512 V C 1.427 177.499 176.094 -0.036 0.000 1.028 512 V CA -0.008 62.253 62.300 -0.065 0.000 1.074 512 V CB 0.157 31.932 31.823 -0.079 0.000 0.958 512 V HN 1.213 nan 8.190 nan 0.000 0.481 513 T N 2.743 117.282 114.554 -0.024 0.000 2.847 513 T HA 0.553 4.903 4.350 0.000 0.000 0.279 513 T C 1.354 176.049 174.700 -0.008 0.000 0.984 513 T CA -0.091 62.002 62.100 -0.011 0.000 0.988 513 T CB 1.592 70.457 68.868 -0.005 0.000 1.040 513 T HN 0.689 nan 8.240 nan 0.000 0.528 514 A N -0.027 122.792 122.820 -0.002 0.000 1.908 514 A HA -0.109 4.211 4.320 0.000 0.000 0.218 514 A C 2.291 179.875 177.584 0.000 0.000 1.181 514 A CA 1.969 54.006 52.037 -0.000 0.000 0.627 514 A CB -1.163 17.839 19.000 0.003 0.000 0.818 514 A HN 1.038 nan 8.150 nan 0.000 0.445 515 E N -0.245 119.957 120.200 0.002 0.000 2.047 515 E HA -0.239 4.111 4.350 0.000 0.000 0.191 515 E C 1.287 177.891 176.600 0.006 0.000 0.987 515 E CA 1.308 57.711 56.400 0.006 0.000 0.799 515 E CB -0.203 29.502 29.700 0.007 0.000 0.752 515 E HN 0.541 nan 8.360 nan 0.000 0.449 516 D N 0.741 121.142 120.400 0.001 0.000 2.116 516 D HA -0.205 4.436 4.640 0.000 0.000 0.193 516 D C 1.648 177.946 176.300 -0.003 0.000 0.998 516 D CA 1.695 55.694 54.000 -0.001 0.000 0.836 516 D CB -0.480 40.312 40.800 -0.014 0.000 0.951 516 D HN 0.323 nan 8.370 nan 0.000 0.449 517 D N -0.162 120.231 120.400 -0.011 0.000 2.144 517 D HA -0.036 4.604 4.640 0.000 0.000 0.200 517 D C 1.929 178.226 176.300 -0.005 0.000 0.978 517 D CA 1.322 55.312 54.000 -0.017 0.000 0.833 517 D CB 0.055 40.843 40.800 -0.020 0.000 0.961 517 D HN 0.110 nan 8.370 nan 0.000 0.470 518 A N -0.017 122.804 122.820 0.003 0.000 1.930 518 A HA -0.171 4.149 4.320 0.000 0.000 0.217 518 A C 2.111 179.707 177.584 0.019 0.000 1.175 518 A CA 1.274 53.316 52.037 0.009 0.000 0.627 518 A CB -0.587 18.419 19.000 0.009 0.000 0.815 518 A HN 0.302 nan 8.150 nan 0.000 0.443 519 Q N -1.655 118.159 119.800 0.023 0.000 2.291 519 Q HA -0.092 4.249 4.340 0.000 0.000 0.205 519 Q C 1.879 177.915 176.000 0.060 0.000 0.970 519 Q CA 1.307 57.133 55.803 0.038 0.000 0.876 519 Q CB -0.246 28.515 28.738 0.038 0.000 0.935 519 Q HN 0.626 nan 8.270 nan 0.000 0.455 520 M N 0.815 120.443 119.600 0.047 0.000 2.446 520 M HA -0.152 4.328 4.480 0.000 0.000 0.263 520 M C 1.175 177.520 176.300 0.074 0.000 1.066 520 M CA 1.452 56.785 55.300 0.055 0.000 1.087 520 M CB 0.140 32.728 32.600 -0.020 0.000 1.406 520 M HN 0.018 nan 8.290 nan 0.000 0.459 521 E N -0.593 119.639 120.200 0.053 0.000 2.268 521 E HA -0.046 4.304 4.350 0.000 0.000 0.195 521 E C 1.250 177.892 176.600 0.070 0.000 0.995 521 E CA 0.863 57.294 56.400 0.051 0.000 0.836 521 E CB -0.111 29.607 29.700 0.030 0.000 0.763 521 E HN 0.542 nan 8.360 nan 0.000 0.491 522 L N 0.103 121.373 121.223 0.079 0.000 2.628 522 L HA 0.131 4.471 4.340 0.000 0.000 0.229 522 L C 0.170 177.089 176.870 0.081 0.000 1.137 522 L CA -0.488 54.391 54.840 0.064 0.000 0.909 522 L CB -0.102 41.980 42.059 0.039 0.000 1.137 522 L HN 0.130 nan 8.230 nan 0.000 0.470 523 Y N 2.275 122.571 120.300 -0.007 0.000 2.569 523 Y HA -0.022 4.528 4.550 0.000 0.000 0.332 523 Y C 1.243 177.132 175.900 -0.018 0.000 1.120 523 Y CA 0.341 58.431 58.100 -0.017 0.000 1.416 523 Y CB 0.475 38.928 38.460 -0.011 0.000 1.210 523 Y HN -0.018 nan 8.280 nan 0.000 0.528 524 K N 4.467 124.627 120.400 -0.399 0.000 2.350 524 K HA 0.309 4.629 4.320 0.000 0.000 0.196 524 K C 0.792 177.177 176.600 -0.359 0.000 1.084 524 K CA 0.663 56.799 56.287 -0.251 0.000 0.967 524 K CB 0.111 32.511 32.500 -0.166 0.000 0.950 524 K HN 0.953 nan 8.250 nan 0.000 0.512 525 G N 1.206 109.530 108.800 -0.794 0.000 2.781 525 G HA2 -0.269 3.691 3.960 0.000 0.000 0.683 525 G HA3 -0.269 3.691 3.960 0.000 0.000 0.683 525 G C -0.086 174.576 174.900 -0.397 0.000 1.390 525 G CA -0.337 44.424 45.100 -0.564 0.000 0.850 525 G HN 0.126 nan 8.290 nan 0.000 0.557 526 Y N -0.298 119.946 120.300 -0.093 0.000 2.519 526 Y HA 0.359 4.909 4.550 0.000 0.000 0.287 526 Y C 2.331 177.943 175.900 -0.480 0.000 1.128 526 Y CA 1.208 59.120 58.100 -0.313 0.000 1.282 526 Y CB -0.026 38.162 38.460 -0.453 0.000 1.027 526 Y HN 0.444 nan 8.280 nan 0.000 0.551 527 F N -1.915 118.074 119.950 0.065 0.000 2.680 527 F HA 0.372 4.899 4.527 0.000 0.000 0.290 527 F C 1.996 177.833 175.800 0.061 0.000 1.114 527 F CA 0.425 58.453 58.000 0.047 0.000 1.333 527 F CB 0.060 39.070 39.000 0.016 0.000 1.091 527 F HN -0.060 nan 8.300 nan 0.000 0.606 528 G N 1.488 110.419 108.800 0.218 0.000 2.168 528 G HA2 -0.313 3.647 3.960 0.000 0.000 0.257 528 G HA3 -0.313 3.647 3.960 0.000 0.000 0.257 528 G C -0.193 174.824 174.900 0.195 0.000 0.997 528 G CA 0.603 45.801 45.100 0.163 0.000 0.708 528 G HN 0.449 nan 8.290 nan 0.000 0.520 529 D N -0.905 119.597 120.400 0.170 0.000 2.478 529 D HA 0.488 5.129 4.640 0.000 0.000 0.269 529 D C 1.525 177.726 176.300 -0.165 0.000 1.232 529 D CA -0.881 53.082 54.000 -0.061 0.000 1.059 529 D CB 0.157 40.840 40.800 -0.195 0.000 1.104 529 D HN 0.079 nan 8.370 nan 0.000 0.566 530 I N -0.541 119.795 120.570 -0.391 0.000 2.335 530 I HA -0.162 4.008 4.170 0.000 0.000 0.251 530 I C 1.281 177.422 176.117 0.041 0.000 1.129 530 I CA 0.985 62.159 61.300 -0.210 0.000 1.402 530 I CB -0.525 37.307 38.000 -0.279 0.000 1.069 530 I HN 0.416 nan 8.210 nan 0.000 0.424 531 W N 0.721 121.952 121.300 -0.114 0.000 2.381 531 W HA -0.124 4.537 4.660 0.001 0.000 0.301 531 W C 2.420 178.950 176.519 0.019 0.000 1.205 531 W CA 0.873 58.179 57.345 -0.066 0.000 1.285 531 W CB -1.544 27.849 29.460 -0.112 0.000 1.133 531 W HN 0.164 nan 8.180 nan 0.000 0.521 532 D N 0.100 120.671 120.400 0.285 0.000 2.097 532 D HA -0.142 4.498 4.640 0.000 0.000 0.195 532 D C 2.220 178.659 176.300 0.231 0.000 0.989 532 D CA 1.436 55.606 54.000 0.285 0.000 0.827 532 D CB -0.603 40.346 40.800 0.249 0.000 0.966 532 D HN 0.110 nan 8.370 nan 0.000 0.456 533 I N 0.911 121.569 120.570 0.147 0.000 2.163 533 I HA -0.237 3.933 4.170 0.000 0.000 0.243 533 I C 2.322 178.486 176.117 0.077 0.000 1.085 533 I CA 0.627 61.988 61.300 0.102 0.000 1.347 533 I CB -0.094 37.938 38.000 0.053 0.000 1.044 533 I HN -0.000 nan 8.210 nan 0.000 0.408 534 I N 0.054 120.671 120.570 0.078 0.000 2.226 534 I HA -0.265 3.905 4.170 0.000 0.000 0.245 534 I C 2.532 178.661 176.117 0.019 0.000 1.100 534 I CA 1.549 62.877 61.300 0.046 0.000 1.374 534 I CB -0.927 37.108 38.000 0.059 0.000 1.057 534 I HN 0.261 nan 8.210 nan 0.000 0.413 535 L N 1.197 122.443 121.223 0.039 0.000 2.046 535 L HA -0.216 4.124 4.340 0.000 0.000 0.208 535 L C 2.629 179.397 176.870 -0.169 0.000 1.077 535 L CA 1.894 56.711 54.840 -0.039 0.000 0.747 535 L CB -0.706 41.352 42.059 -0.002 0.000 0.896 535 L HN 0.144 nan 8.230 nan 0.000 0.432 536 K N -0.473 119.833 120.400 -0.157 0.000 2.032 536 K HA -0.244 4.076 4.320 0.000 0.000 0.209 536 K C 2.128 178.670 176.600 -0.097 0.000 1.048 536 K CA 1.821 58.001 56.287 -0.178 0.000 0.927 536 K CB -0.058 32.458 32.500 0.027 0.000 0.712 536 K HN 0.303 nan 8.250 nan 0.000 0.441 537 K N -0.099 120.273 120.400 -0.045 0.000 2.057 537 K HA -0.055 4.266 4.320 0.000 0.000 0.206 537 K C 2.082 178.650 176.600 -0.053 0.000 1.050 537 K CA 1.138 57.404 56.287 -0.035 0.000 0.935 537 K CB -0.098 32.392 32.500 -0.016 0.000 0.715 537 K HN 0.202 nan 8.250 nan 0.000 0.439 538 A N 0.697 123.481 122.820 -0.061 0.000 2.121 538 A HA -0.060 4.260 4.320 0.000 0.000 0.218 538 A C 1.831 179.356 177.584 -0.098 0.000 1.154 538 A CA 1.168 53.165 52.037 -0.067 0.000 0.679 538 A CB -0.318 18.649 19.000 -0.055 0.000 0.795 538 A HN 0.202 nan 8.150 nan 0.000 0.458 539 M N -0.845 118.681 119.600 -0.123 0.000 2.428 539 M HA 0.115 4.595 4.480 0.000 0.000 0.239 539 M C 0.716 176.947 176.300 -0.114 0.000 1.121 539 M CA 0.047 55.259 55.300 -0.146 0.000 1.019 539 M CB 0.095 32.580 32.600 -0.191 0.000 1.485 539 M HN 0.221 nan 8.290 nan 0.000 0.484 540 K N 1.840 122.188 120.400 -0.086 0.000 2.440 540 K HA -0.096 4.224 4.320 0.000 0.000 0.270 540 K C 0.370 176.938 176.600 -0.053 0.000 0.980 540 K CA 0.297 56.549 56.287 -0.059 0.000 0.953 540 K CB 0.317 32.792 32.500 -0.041 0.000 0.925 540 K HN 0.087 nan 8.250 nan 0.000 0.497 541 N N 1.202 119.879 118.700 -0.039 0.000 2.708 541 N HA -0.151 4.589 4.740 0.000 0.000 0.255 541 N C -1.186 174.302 175.510 -0.037 0.000 1.046 541 N CA 1.062 54.094 53.050 -0.029 0.000 0.715 541 N CB -1.277 37.197 38.487 -0.022 0.000 0.895 541 N HN 0.521 nan 8.380 nan 0.000 0.545 542 S N -1.256 114.416 115.700 -0.047 0.000 2.650 542 S HA 0.209 4.679 4.470 0.000 0.000 0.240 542 S C 0.291 174.861 174.600 -0.050 0.000 1.007 542 S CA -0.280 57.882 58.200 -0.063 0.000 0.984 542 S CB 0.876 64.014 63.200 -0.103 0.000 0.910 542 S HN 0.277 nan 8.310 nan 0.000 0.509 543 V N 2.331 122.229 119.914 -0.026 0.000 2.617 543 V HA 0.288 4.408 4.120 0.000 0.000 0.304 543 V C 1.548 177.643 176.094 0.003 0.000 1.040 543 V CA 1.446 63.738 62.300 -0.013 0.000 1.149 543 V CB -0.061 31.761 31.823 -0.000 0.000 0.914 543 V HN 0.676 nan 8.190 nan 0.000 0.487 544 G N 3.728 112.526 108.800 -0.003 0.000 2.241 544 G HA2 -0.216 3.744 3.960 0.000 0.000 0.244 544 G HA3 -0.216 3.744 3.960 0.000 0.000 0.244 544 G C 0.134 175.011 174.900 -0.038 0.000 0.998 544 G CA 0.052 45.171 45.100 0.032 0.000 0.621 544 G HN 0.579 nan 8.290 nan 0.000 0.519 545 L N 2.397 123.547 121.223 -0.122 0.000 2.439 545 L HA 0.364 4.705 4.340 0.000 0.000 0.269 545 L C -1.624 174.981 176.870 -0.441 0.000 1.179 545 L CA -1.836 52.809 54.840 -0.325 0.000 0.828 545 L CB 0.428 42.337 42.059 -0.250 0.000 1.106 545 L HN -0.013 nan 8.230 nan 0.000 0.467 546 P HA 0.128 nan 4.420 nan 0.000 0.271 546 P C -0.902 176.228 177.300 -0.283 0.000 1.216 546 P CA -0.111 62.681 63.100 -0.513 0.000 0.776 546 P CB 0.966 32.277 31.700 -0.647 0.000 0.881 547 V N 1.958 121.763 119.914 -0.182 0.000 2.789 547 V HA 0.739 4.859 4.120 0.000 0.000 0.311 547 V C 0.145 176.188 176.094 -0.085 0.000 1.073 547 V CA -0.694 61.538 62.300 -0.114 0.000 0.921 547 V CB 1.842 33.605 31.823 -0.100 0.000 1.009 547 V HN 0.747 nan 8.190 nan 0.000 0.426 548 A N 3.375 126.159 122.820 -0.060 0.000 2.344 548 A HA 1.009 5.329 4.320 0.000 0.000 0.307 548 A C -0.500 177.036 177.584 -0.080 0.000 1.151 548 A CA -0.474 51.525 52.037 -0.062 0.000 0.842 548 A CB 2.019 20.995 19.000 -0.041 0.000 1.350 548 A HN 1.481 nan 8.150 nan 0.000 0.459 549 V N -1.913 117.944 119.914 -0.096 0.000 3.103 549 V HA 0.763 4.883 4.120 0.000 0.000 0.318 549 V C -0.464 175.559 176.094 -0.119 0.000 1.114 549 V CA -0.726 61.505 62.300 -0.114 0.000 1.020 549 V CB 1.410 33.161 31.823 -0.121 0.000 1.085 549 V HN 1.018 nan 8.190 nan 0.000 0.446 550 Q N 0.188 119.919 119.800 -0.115 0.000 2.309 550 Q HA 0.621 4.961 4.340 0.000 0.000 0.264 550 Q C -1.601 174.344 176.000 -0.093 0.000 1.008 550 Q CA -0.552 55.190 55.803 -0.101 0.000 0.853 550 Q CB 1.902 30.599 28.738 -0.069 0.000 1.314 550 Q HN 0.996 nan 8.270 nan 0.000 0.448 551 C N 3.269 122.517 119.300 -0.086 0.000 2.345 551 C HA 0.753 5.213 4.460 0.000 0.000 0.323 551 C C -0.569 174.468 174.990 0.078 0.000 1.276 551 C CA -0.699 58.331 59.018 0.019 0.000 1.543 551 C CB 0.748 28.378 27.740 -0.184 0.000 2.211 551 C HN 0.618 nan 8.230 nan 0.000 0.493 552 V N 2.537 122.552 119.914 0.168 0.000 2.735 552 V HA 0.944 5.064 4.120 0.000 0.000 0.310 552 V C 0.214 176.502 176.094 0.323 0.000 1.061 552 V CA -0.138 62.239 62.300 0.127 0.000 0.913 552 V CB 1.744 33.530 31.823 -0.062 0.000 1.005 552 V HN 1.129 nan 8.190 nan 0.000 0.428 553 A N 3.296 126.246 122.820 0.217 0.000 2.504 553 A HA 0.917 5.237 4.320 0.000 0.000 0.285 553 A C -0.820 176.550 177.584 -0.358 0.000 1.261 553 A CA -0.834 51.286 52.037 0.139 0.000 0.741 553 A CB 1.033 20.085 19.000 0.086 0.000 1.327 553 A HN 0.717 nan 8.150 nan 0.000 0.441 554 L N 0.647 121.460 121.223 -0.684 0.000 2.476 554 L HA 0.264 4.604 4.340 0.000 0.000 0.255 554 L C -2.036 174.384 176.870 -0.751 0.000 1.218 554 L CA -1.606 52.540 54.840 -1.157 0.000 0.819 554 L CB 0.120 41.607 42.059 -0.955 0.000 1.119 554 L HN 0.382 nan 8.230 nan 0.000 0.485 555 P HA -0.134 nan 4.420 nan 0.000 0.263 555 P C -0.792 176.282 177.300 -0.376 0.000 1.175 555 P CA 0.524 63.254 63.100 -0.617 0.000 0.761 555 P CB 0.064 31.414 31.700 -0.583 0.000 0.794 556 W N 0.149 121.384 121.300 -0.108 0.000 2.303 556 W HA -0.193 4.467 4.660 -0.000 0.000 0.267 556 W C 0.571 177.042 176.519 -0.080 0.000 1.054 556 W CA 0.014 57.315 57.345 -0.075 0.000 0.501 556 W CB -2.155 27.256 29.460 -0.081 0.000 2.076 556 W HN 0.376 nan 8.180 nan 0.000 1.317 557 Q N 0.610 120.418 119.800 0.014 0.000 2.375 557 Q HA 0.121 4.461 4.340 0.000 0.000 0.316 557 Q C 1.203 177.221 176.000 0.030 0.000 0.927 557 Q CA 0.376 56.183 55.803 0.007 0.000 1.029 557 Q CB 0.416 29.123 28.738 -0.052 0.000 1.202 557 Q HN 0.335 nan 8.270 nan 0.000 0.431 558 E N 0.832 121.070 120.200 0.063 0.000 2.085 558 E HA -0.218 4.132 4.350 0.000 0.000 0.194 558 E C 1.337 178.003 176.600 0.111 0.000 0.994 558 E CA 1.407 57.864 56.400 0.096 0.000 0.801 558 E CB 0.228 30.016 29.700 0.145 0.000 0.743 558 E HN 0.396 nan 8.360 nan 0.000 0.453 559 E N -0.033 120.184 120.200 0.028 0.000 2.077 559 E HA -0.160 4.190 4.350 0.000 0.000 0.193 559 E C 1.842 178.518 176.600 0.126 0.000 0.989 559 E CA 0.709 57.095 56.400 -0.023 0.000 0.800 559 E CB -0.184 29.341 29.700 -0.292 0.000 0.746 559 E HN 0.130 nan 8.360 nan 0.000 0.452 560 L N 0.280 121.554 121.223 0.085 0.000 2.072 560 L HA -0.069 4.271 4.340 0.000 0.000 0.205 560 L C 2.204 179.178 176.870 0.173 0.000 1.079 560 L CA 1.494 56.398 54.840 0.107 0.000 0.752 560 L CB -0.797 41.299 42.059 0.062 0.000 0.906 560 L HN 0.333 nan 8.230 nan 0.000 0.436 561 C N -0.591 118.806 119.300 0.162 0.000 2.413 561 C HA -0.172 4.288 4.460 0.000 0.000 0.276 561 C C 2.763 177.880 174.990 0.212 0.000 1.236 561 C CA 1.149 60.286 59.018 0.199 0.000 1.735 561 C CB -1.082 26.738 27.740 0.133 0.000 2.031 561 C HN 0.602 nan 8.230 nan 0.000 0.474 562 L N 0.661 122.020 121.223 0.226 0.000 2.093 562 L HA -0.081 4.259 4.340 0.000 0.000 0.208 562 L C 3.052 180.158 176.870 0.393 0.000 1.085 562 L CA 1.472 56.484 54.840 0.286 0.000 0.755 562 L CB -0.817 41.410 42.059 0.279 0.000 0.904 562 L HN 0.375 nan 8.230 nan 0.000 0.435 563 R N 0.448 121.172 120.500 0.373 0.000 2.091 563 R HA -0.250 4.090 4.340 0.000 0.000 0.238 563 R C 2.310 178.718 176.300 0.181 0.000 1.136 563 R CA 2.021 58.229 56.100 0.181 0.000 0.959 563 R CB -0.723 29.641 30.300 0.107 0.000 0.856 563 R HN 0.383 nan 8.270 nan 0.000 0.437 564 F N 0.625 120.594 119.950 0.032 0.000 2.206 564 F HA -0.131 4.396 4.527 0.000 0.000 0.298 564 F C 2.319 178.111 175.800 -0.014 0.000 1.090 564 F CA 1.041 59.025 58.000 -0.026 0.000 1.323 564 F CB -0.015 38.966 39.000 -0.032 0.000 1.028 564 F HN -0.033 nan 8.300 nan 0.000 0.492 565 M N 0.230 119.763 119.600 -0.112 0.000 2.108 565 M HA -0.230 4.250 4.480 0.000 0.000 0.261 565 M C 2.340 178.578 176.300 -0.104 0.000 1.066 565 M CA 1.884 57.061 55.300 -0.206 0.000 1.107 565 M CB -0.549 32.011 32.600 -0.067 0.000 1.356 565 M HN 0.121 nan 8.290 nan 0.000 0.406 566 R N 0.533 121.047 120.500 0.024 0.000 2.105 566 R HA -0.230 4.110 4.340 0.000 0.000 0.239 566 R C 1.938 178.233 176.300 -0.009 0.000 1.135 566 R CA 2.023 58.145 56.100 0.036 0.000 0.967 566 R CB -0.146 30.191 30.300 0.061 0.000 0.861 566 R HN 0.266 nan 8.270 nan 0.000 0.442 567 E N -0.031 120.162 120.200 -0.011 0.000 2.051 567 E HA -0.134 4.216 4.350 0.000 0.000 0.192 567 E C 1.864 178.436 176.600 -0.047 0.000 0.991 567 E CA 1.663 58.068 56.400 0.009 0.000 0.799 567 E CB -0.135 29.607 29.700 0.070 0.000 0.748 567 E HN 0.194 nan 8.360 nan 0.000 0.449 568 V N 1.082 120.894 119.914 -0.170 0.000 2.343 568 V HA -0.248 3.872 4.120 0.000 0.000 0.247 568 V C 2.438 178.469 176.094 -0.104 0.000 1.051 568 V CA 2.238 64.425 62.300 -0.188 0.000 1.036 568 V CB -0.579 31.023 31.823 -0.369 0.000 0.654 568 V HN 0.428 nan 8.190 nan 0.000 0.451 569 E N -0.205 119.945 120.200 -0.085 0.000 2.077 569 E HA -0.274 4.076 4.350 0.000 0.000 0.193 569 E C 2.240 178.831 176.600 -0.014 0.000 0.989 569 E CA 1.434 57.810 56.400 -0.039 0.000 0.800 569 E CB -0.097 29.592 29.700 -0.018 0.000 0.746 569 E HN 0.693 nan 8.360 nan 0.000 0.452 570 Q N -0.048 119.749 119.800 -0.005 0.000 2.170 570 Q HA -0.138 4.202 4.340 0.000 0.000 0.203 570 Q C 2.324 178.330 176.000 0.009 0.000 0.976 570 Q CA 1.242 57.050 55.803 0.009 0.000 0.858 570 Q CB 0.042 28.791 28.738 0.019 0.000 0.907 570 Q HN 0.397 nan 8.270 nan 0.000 0.433 571 L N -0.994 120.231 121.223 0.004 0.000 2.249 571 L HA 0.012 4.352 4.340 0.000 0.000 0.207 571 L C 2.003 178.871 176.870 -0.003 0.000 1.090 571 L CA 0.260 55.105 54.840 0.009 0.000 0.802 571 L CB -0.017 42.053 42.059 0.018 0.000 0.947 571 L HN 0.258 nan 8.230 nan 0.000 0.453 572 M N -0.924 118.667 119.600 -0.016 0.000 2.534 572 M HA 0.103 4.583 4.480 0.000 0.000 0.263 572 M C 0.828 177.122 176.300 -0.010 0.000 1.152 572 M CA 0.740 56.028 55.300 -0.020 0.000 1.145 572 M CB -0.329 32.247 32.600 -0.039 0.000 1.333 572 M HN 0.178 nan 8.290 nan 0.000 0.477 573 T N -2.083 112.468 114.554 -0.005 0.000 3.401 573 T HA 0.423 4.773 4.350 0.000 0.000 0.341 573 T C -2.465 172.242 174.700 0.012 0.000 1.674 573 T CA -1.341 60.763 62.100 0.007 0.000 1.600 573 T CB 0.938 69.813 68.868 0.012 0.000 0.974 573 T HN -0.062 nan 8.240 nan 0.000 0.672 574 P HA 0.065 nan 4.420 nan 0.000 0.242 574 P C 0.985 178.295 177.300 0.017 0.000 1.197 574 P CA 0.519 63.627 63.100 0.014 0.000 0.765 574 P CB 0.237 31.944 31.700 0.012 0.000 0.936 575 Q N -0.389 119.422 119.800 0.019 0.000 2.247 575 Q HA 0.119 4.459 4.340 0.000 0.000 0.211 575 Q C 0.518 176.534 176.000 0.026 0.000 0.861 575 Q CA -0.114 55.702 55.803 0.022 0.000 0.949 575 Q CB -0.180 28.571 28.738 0.022 0.000 1.115 575 Q HN 0.003 nan 8.270 nan 0.000 0.507 576 K N 0.726 121.142 120.400 0.027 0.000 2.448 576 K HA 0.003 4.323 4.320 0.000 0.000 0.278 576 K C -0.503 176.116 176.600 0.031 0.000 1.009 576 K CA 0.049 56.356 56.287 0.032 0.000 0.995 576 K CB 0.490 33.009 32.500 0.032 0.000 0.917 576 K HN 0.128 nan 8.250 nan 0.000 0.481 577 Q N 4.329 124.148 119.800 0.033 0.000 2.274 577 Q HA 0.076 4.417 4.340 0.000 0.000 0.280 577 Q C -1.832 174.188 176.000 0.033 0.000 1.047 577 Q CA -1.522 54.299 55.803 0.031 0.000 0.907 577 Q CB 0.305 29.062 28.738 0.032 0.000 1.171 577 Q HN 0.574 nan 8.270 nan 0.000 0.381 578 P HA 0.000 nan 4.420 nan 0.000 0.216 578 P CA 0.000 63.120 63.100 0.034 0.000 0.800 578 P CB 0.000 31.718 31.700 0.029 0.000 0.726